1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole

C39H40N2 — CID 102450408

IUPAC1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole
SMILESc1ccc(Cn2cc(C(CCC3CCCCC3)c3cn(Cc4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C39H40N2/c1-4-14-30(15-5-1)24-25-33(36-28-40(26-31-16-6-2-7-17-31)38-22-12-10-20-34(36)38)37-29-41(27-32-18-8-3-9-19-32)39-23-13-11-21-35(37)39/h2-3,6-13,16-23,28-30,33H,1,4-5,14-15,24-27H2
InChIKeyCTHLRLXWZFTDKR-UHFFFAOYSA-N
MW536.76 g/mol
LogP10.19
Rot. Bonds9

About 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole

1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole (PubChem CID 102450408) has the molecular formula C39H40N2 and a molecular weight of 536.76 g/mol. Its IUPAC name is 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole.

Molecular Properties

Compound Name1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole
PubChem CID102450408
Molecular FormulaC39H40N2
Molecular Weight536.76 g/mol
Exact Mass536.32
IUPAC Name1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole
SMILESc1ccc(Cn2cc(C(CCC3CCCCC3)c3cn(Cc4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C39H40N2/c1-4-14-30(15-5-1)24-25-33(36-28-40(26-31-16-6-2-7-17-31)38-22-12-10-20-34(36)38)37-29-41(27-32-18-8-3-9-19-32)39-23-13-11-21-35(37)39/h2-3,6-13,16-23,28-30,33H,1,4-5,14-15,24-27H2
InChIKeyCTHLRLXWZFTDKR-UHFFFAOYSA-N
XLogP10.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.76
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]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

3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole
CID 102450409
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-(2-methylphenyl)butyl]cyclohexan-1-amine
CID 161181861
2-(1-benzylindol-3-yl)-2-chloroacetaldehyde
CID 19860541
N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
CID 142579561
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine
CID 160785399
tert-butyl 4-[2-[[3-(1-benzylindol-3-yl)-3-(3-methylphenyl)propyl]amino]ethyl]piperidine-1-carboxylate
CID 155124169
(2R)-2-(1-benzylindol-3-yl)butanedioic acid
CID 802057
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole?
The IUPAC name of 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole (CID 102450408) is 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole.
What is the SMILES notation for 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole?
The canonical SMILES for 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole is c1ccc(Cn2cc(C(CCC3CCCCC3)c3cn(Cc4ccccc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole?
The InChIKey is CTHLRLXWZFTDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N2/c1-4-14-30(15-5-1)24-25-33(36-28-40(26-31-16-6-2-7-17-31)38-22-12-10-20-34(36)38)37-29-41(27-32-18-8-3-9-19-32)39-23-13-11-21-35(37)39/h2-3,6-13,16-23,28-30,33H,1,4-5,14-15,24-27H2.
What are the key properties of 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole?
1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole has a molecular weight of 536.76 g/mol, XLogP of 10.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole is sourced from PubChem (CID 102450408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).