4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene

C24H16ClNO2 — CID 121437434

IUPAC4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C24H16ClNO2/c25-22-11-12-23(24(16-22)26(27)28)21-14-19(17-7-3-1-4-8-17)13-20(15-21)18-9-5-2-6-10-18/h1-16H
InChIKeyKHOAHPQVUNFAHS-UHFFFAOYSA-N
MW385.85 g/mol
LogP7.25
Rot. Bonds4

About 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene

4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene (PubChem CID 121437434) has the molecular formula C24H16ClNO2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
PubChem CID121437434
Molecular FormulaC24H16ClNO2
Molecular Weight385.85 g/mol
Exact Mass385.09
IUPAC Name4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C24H16ClNO2/c25-22-11-12-23(24(16-22)26(27)28)21-14-19(17-7-3-1-4-8-17)13-20(15-21)18-9-5-2-6-10-18/h1-16H
InChIKeyKHOAHPQVUNFAHS-UHFFFAOYSA-N
XLogP7.25
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
3-nitro-4-phenylaniline
CID 19386766
2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene
CID 56650404
4-tert-butyl-2-nitro-1-phenylbenzene
CID 12541280
1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
CID 90215701
8-nitrotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaen-4-ol
CID 56622147
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
3-nitro-4-phenylbenzenecarbothioic S-acid
CID 19934654
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene
CID 149458910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene?
The IUPAC name of 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene (CID 121437434) is 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene?
The InChIKey is KHOAHPQVUNFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO2/c25-22-11-12-23(24(16-22)26(27)28)21-14-19(17-7-3-1-4-8-17)13-20(15-21)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene?
4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene has a molecular weight of 385.85 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene is sourced from PubChem (CID 121437434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).