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Also known as: 198479-63-9, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1h-indole, 3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1h-indole, 1h-indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-, 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1h-indole, 5-(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1h-indole
Molecular Formula
C29H25NO2
Molecular Weight
419.5  g/mol
InChI Key
KRIJKJMYOVWRSJ-UHFFFAOYSA-N

CAS 198479-63-9
1 2D Structure

CAS 198479-63-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole
2.1.2 InChI
InChI=1S/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3
2.1.3 InChI Key
KRIJKJMYOVWRSJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(NC2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 198479-63-9

2. 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1h-indole

3. 3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1h-indole

4. 1h-indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-

5. 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1h-indole

6. 5-(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1h-indole

7. 5-(benzyloxy)-2-(4-(benzyloxy)-phenyl)-3-methyl-1h-indole

8. Schembl102598

9. 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1h-indole

10. Chembl4966106

11. Dtxsid30396923

12. Bcp08614

13. Zinc2522382

14. 1h-indole,3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-

15. Mfcd04004106

16. Akos000282525

17. Am84680

18. Ss-3549

19. Db-014532

20. Cs-0036252

21. Ft-0672185

22. 479m639

23. Q-102026

24. 5-benzyloxy-2-(4-benzyloxy Phenyl)-3-methyl-1h-indole

25. 5-benzyloxy-2-(4benzyloxy-phenyl)-3-methyl-1h-indole

2.3 Create Date
2005-09-11
3 Chemical and Physical Properties
Molecular Weight 419.5 g/mol
Molecular Formula C29H25NO2
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass419.188529040 g/mol
Monoisotopic Mass419.188529040 g/mol
Topological Polar Surface Area34.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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