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

C34H32N2 — CID 22019299

IUPAC1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
SMILESCCCC(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C34H32N2/c1-2-13-28(31-24-35(22-26-14-5-3-6-15-26)33-20-11-9-18-29(31)33)32-25-36(23-27-16-7-4-8-17-27)34-21-12-10-19-30(32)34/h3-12,14-21,24-25,28H,2,13,22-23H2,1H3
InChIKeyBBCYIQIPODTEJG-UHFFFAOYSA-N
MW468.64 g/mol
LogP8.62
Rot. Bonds8

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

1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole (PubChem CID 22019299) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole.

Molecular Properties

Compound Name1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
PubChem CID22019299
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
SMILESCCCC(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C34H32N2/c1-2-13-28(31-24-35(22-26-14-5-3-6-15-26)33-20-11-9-18-29(31)33)32-25-36(23-27-16-7-4-8-17-27)34-21-12-10-19-30(32)34/h3-12,14-21,24-25,28H,2,13,22-23H2,1H3
InChIKeyBBCYIQIPODTEJG-UHFFFAOYSA-N
XLogP8.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol
CID 11109797
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole
CID 102450408
2-(1-benzylindol-3-yl)-2-chloroacetaldehyde
CID 19860541
1-benzyl-3-methylindole;ethane
CID 145343697
methyl (4S)-4-(1-benzylindol-3-yl)-2-oxo-4-phenylbutanoate
CID 134944904
(2R)-2-(1-benzylindol-3-yl)butanedioic acid
CID 802057
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole
CID 10602364
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-3-phenylselanylindole
CID 101452590
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 83285550

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole?
The IUPAC name of 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole (CID 22019299) is 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole.
What is the SMILES notation for 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole?
The canonical SMILES for 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole is CCCC(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole?
The InChIKey is BBCYIQIPODTEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-2-13-28(31-24-35(22-26-14-5-3-6-15-26)33-20-11-9-18-29(31)33)32-25-36(23-27-16-7-4-8-17-27)34-21-12-10-19-30(32)34/h3-12,14-21,24-25,28H,2,13,22-23H2,1H3.
What are the key properties of 1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole?
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole has a molecular weight of 468.64 g/mol, XLogP of 8.62, 8 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)butyl]indole is sourced from PubChem (CID 22019299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).