[6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone

C31H24N2O — CID 56851776

IUPAC[6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21
InChIInChI=1S/C31H24N2O/c1-22-7-5-6-10-28(22)31(34)33-18-16-25-12-14-27(20-30(25)33)26-13-11-24-15-17-32(29(24)19-26)21-23-8-3-2-4-9-23/h2-20H,21H2,1H3
InChIKeyRZKJRHYDDXXPAL-UHFFFAOYSA-N
MW440.55 g/mol
LogP7.31
Rot. Bonds4

About [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone

[6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone (PubChem CID 56851776) has the molecular formula C31H24N2O and a molecular weight of 440.55 g/mol. Its IUPAC name is [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone
PubChem CID56851776
Molecular FormulaC31H24N2O
Molecular Weight440.55 g/mol
Exact Mass440.19
IUPAC Name[6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21
InChIInChI=1S/C31H24N2O/c1-22-7-5-6-10-28(22)31(34)33-18-16-25-12-14-27(20-30(25)33)26-13-11-24-15-17-32(29(24)19-26)21-23-8-3-2-4-9-23/h2-20H,21H2,1H3
InChIKeyRZKJRHYDDXXPAL-UHFFFAOYSA-N
XLogP7.31
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone (CID 56851776) is [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21.
What is the InChIKey of [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone?
The InChIKey is RZKJRHYDDXXPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O/c1-22-7-5-6-10-28(22)31(34)33-18-16-25-12-14-27(20-30(25)33)26-13-11-24-15-17-32(29(24)19-26)21-23-8-3-2-4-9-23/h2-20H,21H2,1H3.
What are the key properties of [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone?
[6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone has a molecular weight of 440.55 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-benzylindol-6-yl)indol-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 56851776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).