3-benzhydrylbenzo[e]indole

C25H19N — CID 132538955

IUPAC3-benzhydrylbenzo[e]indole
SMILESc1ccc(C(c2ccccc2)n2ccc3c4ccccc4ccc32)cc1
InChIInChI=1S/C25H19N/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)26-18-17-23-22-14-8-7-9-19(22)15-16-24(23)26/h1-18,25H
InChIKeyNHAQISBYUXYKEX-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.43
Rot. Bonds3

About 3-benzhydrylbenzo[e]indole

3-benzhydrylbenzo[e]indole (PubChem CID 132538955) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-benzhydrylbenzo[e]indole.

Molecular Properties

Compound Name3-benzhydrylbenzo[e]indole
PubChem CID132538955
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name3-benzhydrylbenzo[e]indole
SMILESc1ccc(C(c2ccccc2)n2ccc3c4ccccc4ccc32)cc1
InChIInChI=1S/C25H19N/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)26-18-17-23-22-14-8-7-9-19(22)15-16-24(23)26/h1-18,25H
InChIKeyNHAQISBYUXYKEX-UHFFFAOYSA-N
XLogP6.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-benzhydrylbenzo[e]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

benzo[e]indole-3-carboxylic acid
CID 54360149
1-benzhydryl-6-chloroindole
CID 11580537
1-benzhydrylindole-3-carbaldehyde
CID 18973484
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
1-(1-benzhydrylindol-5-yl)ethanone
CID 10087707
ethene;picene
CID 175286520
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
1-benzhydryl-3-phenylindol-5-amine
CID 141114540
(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol
CID 69158114
chrysene;iron
CID 157379031
ethane;methane;phenanthrene
CID 144938954

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylbenzo[e]indole?
The IUPAC name of 3-benzhydrylbenzo[e]indole (CID 132538955) is 3-benzhydrylbenzo[e]indole.
What is the SMILES notation for 3-benzhydrylbenzo[e]indole?
The canonical SMILES for 3-benzhydrylbenzo[e]indole is c1ccc(C(c2ccccc2)n2ccc3c4ccccc4ccc32)cc1.
What is the InChIKey of 3-benzhydrylbenzo[e]indole?
The InChIKey is NHAQISBYUXYKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)26-18-17-23-22-14-8-7-9-19(22)15-16-24(23)26/h1-18,25H.
What are the key properties of 3-benzhydrylbenzo[e]indole?
3-benzhydrylbenzo[e]indole has a molecular weight of 333.43 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylbenzo[e]indole is sourced from PubChem (CID 132538955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).