1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole

C48H36N2 — CID 86235085

IUPAC1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
SMILESc1ccc(Cn2c(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)n(Cc5ccccc5)c5ccccc45)cc3)c3ccccc32)cc1
InChIInChI=1S/C48H36N2/c1-5-17-35(18-6-1)33-49-43-27-15-13-25-41(43)45(47(49)39-21-9-3-10-22-39)37-29-31-38(32-30-37)46-42-26-14-16-28-44(42)50(34-36-19-7-2-8-20-36)48(46)40-23-11-4-12-24-40/h1-32H,33-34H2
InChIKeyRXLBQHGKHALZIT-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.36
Rot. Bonds8

About 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole

1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole (PubChem CID 86235085) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole.

Molecular Properties

Compound Name1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
PubChem CID86235085
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
SMILESc1ccc(Cn2c(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)n(Cc5ccccc5)c5ccccc45)cc3)c3ccccc32)cc1
InChIInChI=1S/C48H36N2/c1-5-17-35(18-6-1)33-49-43-27-15-13-25-41(43)45(47(49)39-21-9-3-10-22-39)37-29-31-38(32-30-37)46-42-26-14-16-28-44(42)50(34-36-19-7-2-8-20-36)48(46)40-23-11-4-12-24-40/h1-32H,33-34H2
InChIKeyRXLBQHGKHALZIT-UHFFFAOYSA-N
XLogP12.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-chloro-2,3-diphenylindole
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1-benzylindole-2,3-diamine
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CID 155097260
[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 138971434
3-[1-benzyl-3-[4-(2-hydroxyphenyl)phenyl]indol-2-yl]propanoic acid
CID 130234222
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CID 162539598
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CID 134954368

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole?
The IUPAC name of 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole (CID 86235085) is 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole.
What is the SMILES notation for 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole?
The canonical SMILES for 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole is c1ccc(Cn2c(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)n(Cc5ccccc5)c5ccccc45)cc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole?
The InChIKey is RXLBQHGKHALZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-17-35(18-6-1)33-49-43-27-15-13-25-41(43)45(47(49)39-21-9-3-10-22-39)37-29-31-38(32-30-37)46-42-26-14-16-28-44(42)50(34-36-19-7-2-8-20-36)48(46)40-23-11-4-12-24-40/h1-32H,33-34H2.
What are the key properties of 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole?
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole has a molecular weight of 640.83 g/mol, XLogP of 12.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole is sourced from PubChem (CID 86235085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).