1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene

C25H18ClNO2 — CID 149458910

IUPAC1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(Cl)c2)c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C25H18ClNO2/c1-17-14-20(18-8-3-2-4-9-18)16-23(19-10-7-11-21(26)15-19)25(17)22-12-5-6-13-24(22)27(28)29/h2-16H,1H3
InChIKeyYZCVLKNQUNTNCN-UHFFFAOYSA-N
MW399.88 g/mol
LogP7.56
Rot. Bonds4

About 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene

1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene (PubChem CID 149458910) has the molecular formula C25H18ClNO2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene
PubChem CID149458910
Molecular FormulaC25H18ClNO2
Molecular Weight399.88 g/mol
Exact Mass399.10
IUPAC Name1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(Cl)c2)c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C25H18ClNO2/c1-17-14-20(18-8-3-2-4-9-18)16-23(19-10-7-11-21(26)15-19)25(17)22-12-5-6-13-24(22)27(28)29/h2-16H,1H3
InChIKeyYZCVLKNQUNTNCN-UHFFFAOYSA-N
XLogP7.56
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 57.56
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

1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
CID 121437434
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
3-(3-chlorophenyl)-5-(2-nitrophenyl)-1H-1,2,4-triazole
CID 43831647
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
1-(3-chlorophenyl)-3-methyl-5-(2-nitrophenyl)pyrazole-4-carboxylic acid
CID 13349380
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene?
The IUPAC name of 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene (CID 149458910) is 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene?
The canonical SMILES for 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene is Cc1cc(-c2ccccc2)cc(-c2cccc(Cl)c2)c1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene?
The InChIKey is YZCVLKNQUNTNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO2/c1-17-14-20(18-8-3-2-4-9-18)16-23(19-10-7-11-21(26)15-19)25(17)22-12-5-6-13-24(22)27(28)29/h2-16H,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene?
1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene has a molecular weight of 399.88 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene is sourced from PubChem (CID 149458910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).