bis(1-benzylindol-3-yl)methanone

C31H24N2O — CID 22019292

IUPACbis(1-benzylindol-3-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C31H24N2O/c34-31(27-21-32(19-23-11-3-1-4-12-23)29-17-9-7-15-25(27)29)28-22-33(20-24-13-5-2-6-14-24)30-18-10-8-16-26(28)30/h1-18,21-22H,19-20H2
InChIKeyHFUKTZDCIMCZQU-UHFFFAOYSA-N
MW440.55 g/mol
LogP6.92
Rot. Bonds6

About bis(1-benzylindol-3-yl)methanone

bis(1-benzylindol-3-yl)methanone (PubChem CID 22019292) has the molecular formula C31H24N2O and a molecular weight of 440.55 g/mol. Its IUPAC name is bis(1-benzylindol-3-yl)methanone.

Molecular Properties

Compound Namebis(1-benzylindol-3-yl)methanone
PubChem CID22019292
Molecular FormulaC31H24N2O
Molecular Weight440.55 g/mol
Exact Mass440.19
IUPAC Namebis(1-benzylindol-3-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C31H24N2O/c34-31(27-21-32(19-23-11-3-1-4-12-23)29-17-9-7-15-25(27)29)28-22-33(20-24-13-5-2-6-14-24)30-18-10-8-16-26(28)30/h1-18,21-22H,19-20H2
InChIKeyHFUKTZDCIMCZQU-UHFFFAOYSA-N
XLogP6.92
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1-benzylindol-3-yl)methanone?
The IUPAC name of bis(1-benzylindol-3-yl)methanone (CID 22019292) is bis(1-benzylindol-3-yl)methanone.
What is the SMILES notation for bis(1-benzylindol-3-yl)methanone?
The canonical SMILES for bis(1-benzylindol-3-yl)methanone is O=C(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of bis(1-benzylindol-3-yl)methanone?
The InChIKey is HFUKTZDCIMCZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O/c34-31(27-21-32(19-23-11-3-1-4-12-23)29-17-9-7-15-25(27)29)28-22-33(20-24-13-5-2-6-14-24)30-18-10-8-16-26(28)30/h1-18,21-22H,19-20H2.
What are the key properties of bis(1-benzylindol-3-yl)methanone?
bis(1-benzylindol-3-yl)methanone has a molecular weight of 440.55 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzylindol-3-yl)methanone is sourced from PubChem (CID 22019292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).