N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine

C24H17ClNOP — CID 89472308

IUPACN-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc(Nc3ccccc3Cl)cc21
InChIInChI=1S/C24H17ClNOP/c25-21-11-5-6-12-22(21)26-17-14-15-20-19-10-4-7-13-23(19)28(27,24(20)16-17)18-8-2-1-3-9-18/h1-16,26H
InChIKeyGRASCAWNXDISFM-UHFFFAOYSA-N
MW401.83 g/mol
LogP5.70
Rot. Bonds3

About N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine

N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine (PubChem CID 89472308) has the molecular formula C24H17ClNOP and a molecular weight of 401.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine
PubChem CID89472308
Molecular FormulaC24H17ClNOP
Molecular Weight401.83 g/mol
Exact Mass401.07
IUPAC NameN-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc(Nc3ccccc3Cl)cc21
InChIInChI=1S/C24H17ClNOP/c25-21-11-5-6-12-22(21)26-17-14-15-20-19-10-4-7-13-23(19)28(27,24(20)16-17)18-8-2-1-3-9-18/h1-16,26H
InChIKeyGRASCAWNXDISFM-UHFFFAOYSA-N
XLogP5.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.83
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine?
The IUPAC name of N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine (CID 89472308) is N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine is O=P1(c2ccccc2)c2ccccc2-c2ccc(Nc3ccccc3Cl)cc21.
What is the InChIKey of N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine?
The InChIKey is GRASCAWNXDISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClNOP/c25-21-11-5-6-12-22(21)26-17-14-15-20-19-10-4-7-13-23(19)28(27,24(20)16-17)18-8-2-1-3-9-18/h1-16,26H.
What are the key properties of N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine?
N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine has a molecular weight of 401.83 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine is sourced from PubChem (CID 89472308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).