1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole

C37H31N3O — CID 10602364

IUPAC1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole
SMILESCOc1ccc(C(c2cn(Cc3ccccc3)c3ccccc23)c2cn(Cc3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C37H31N3O/c1-41-29-20-21-34(38-22-29)37(32-25-39(23-27-12-4-2-5-13-27)35-18-10-8-16-30(32)35)33-26-40(24-28-14-6-3-7-15-28)36-19-11-9-17-31(33)36/h2-22,25-26,37H,23-24H2,1H3
InChIKeyURLFXDJRLJKWAO-UHFFFAOYSA-N
MW533.68 g/mol
LogP8.28
Rot. Bonds8

About 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole

1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole (PubChem CID 10602364) has the molecular formula C37H31N3O and a molecular weight of 533.68 g/mol. Its IUPAC name is 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole.

Molecular Properties

Compound Name1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole
PubChem CID10602364
Molecular FormulaC37H31N3O
Molecular Weight533.68 g/mol
Exact Mass533.25
IUPAC Name1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole
SMILESCOc1ccc(C(c2cn(Cc3ccccc3)c3ccccc23)c2cn(Cc3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C37H31N3O/c1-41-29-20-21-34(38-22-29)37(32-25-39(23-27-12-4-2-5-13-27)35-18-10-8-16-30(32)35)33-26-40(24-28-14-6-3-7-15-28)36-19-11-9-17-31(33)36/h2-22,25-26,37H,23-24H2,1H3
InChIKeyURLFXDJRLJKWAO-UHFFFAOYSA-N
XLogP8.28
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
CID 83285109
3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 42778189
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 83285095
(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
1-[(1-benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]-5-bromoindol-3-yl]-(4-methoxyphenyl)methyl]-5-bromoindole
CID 44583479
2-(1-benzylindol-3-yl)-2-chloroacetaldehyde
CID 19860541
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 98250713
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 19173356

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole?
The IUPAC name of 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole (CID 10602364) is 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole.
What is the SMILES notation for 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole?
The canonical SMILES for 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole is COc1ccc(C(c2cn(Cc3ccccc3)c3ccccc23)c2cn(Cc3ccccc3)c3ccccc23)nc1.
What is the InChIKey of 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole?
The InChIKey is URLFXDJRLJKWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3O/c1-41-29-20-21-34(38-22-29)37(32-25-39(23-27-12-4-2-5-13-27)35-18-10-8-16-30(32)35)33-26-40(24-28-14-6-3-7-15-28)36-19-11-9-17-31(33)36/h2-22,25-26,37H,23-24H2,1H3.
What are the key properties of 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole?
1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole has a molecular weight of 533.68 g/mol, XLogP of 8.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole is sourced from PubChem (CID 10602364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).