4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole

C24H16ClN — CID 10970257

IUPAC4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole
SMILESClc1ccc(-c2c3ccccc3c(-c3ccccc3)c3[nH]ccc23)cc1
InChIInChI=1S/C24H16ClN/c25-18-12-10-17(11-13-18)22-19-8-4-5-9-20(19)23(16-6-2-1-3-7-16)24-21(22)14-15-26-24/h1-15,26H
InChIKeyXHUYKQXHTTWBJU-UHFFFAOYSA-N
MW353.85 g/mol
LogP7.31
Rot. Bonds2

About 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole

4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole (PubChem CID 10970257) has the molecular formula C24H16ClN and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole
PubChem CID10970257
Molecular FormulaC24H16ClN
Molecular Weight353.85 g/mol
Exact Mass353.10
IUPAC Name4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole
SMILESClc1ccc(-c2c3ccccc3c(-c3ccccc3)c3[nH]ccc23)cc1
InChIInChI=1S/C24H16ClN/c25-18-12-10-17(11-13-18)22-19-8-4-5-9-20(19)23(16-6-2-1-3-7-16)24-21(22)14-15-26-24/h1-15,26H
InChIKeyXHUYKQXHTTWBJU-UHFFFAOYSA-N
XLogP7.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Ellipticine
CID 3213
(-)-Agroclavine
CID 73484
6,8-Dimethyl-8,9-didehydroergoline
CID 287403
CY 208-243
CID 58144
Ellipticine hydrochloride
CID 169532
Hapalindole G
CID 11067734
Hapalindole H
CID 21671525
Hapalindole A
CID 185159
Hapalindole J
CID 21761739
Lysergene
CID 12312578
5,11-Didemethylellipticine
CID 97666
(-)-Hapalindole U
CID 16069589

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole?
The IUPAC name of 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole (CID 10970257) is 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole.
What is the SMILES notation for 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole?
The canonical SMILES for 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole is Clc1ccc(-c2c3ccccc3c(-c3ccccc3)c3[nH]ccc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole?
The InChIKey is XHUYKQXHTTWBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN/c25-18-12-10-17(11-13-18)22-19-8-4-5-9-20(19)23(16-6-2-1-3-7-16)24-21(22)14-15-26-24/h1-15,26H.
What are the key properties of 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole?
4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole has a molecular weight of 353.85 g/mol, XLogP of 7.31, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-9-phenyl-1H-benzo[f]indole is sourced from PubChem (CID 10970257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).