1,2-diphenyl-3-(trichloromethyl)benzene

C19H13Cl3 — CID 175404490

IUPAC1,2-diphenyl-3-(trichloromethyl)benzene
SMILESClC(Cl)(Cl)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H13Cl3/c20-19(21,22)17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H
InChIKeyCTOGXWWIMVBARU-UHFFFAOYSA-N
MW347.67 g/mol
LogP6.85
Rot. Bonds2

About 1,2-diphenyl-3-(trichloromethyl)benzene

1,2-diphenyl-3-(trichloromethyl)benzene (PubChem CID 175404490) has the molecular formula C19H13Cl3 and a molecular weight of 347.67 g/mol. Its IUPAC name is 1,2-diphenyl-3-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2-diphenyl-3-(trichloromethyl)benzene
PubChem CID175404490
Molecular FormulaC19H13Cl3
Molecular Weight347.67 g/mol
Exact Mass346.01
IUPAC Name1,2-diphenyl-3-(trichloromethyl)benzene
SMILESClC(Cl)(Cl)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H13Cl3/c20-19(21,22)17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H
InChIKeyCTOGXWWIMVBARU-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.67
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-triphenyl-4-(trichloromethyl)benzene
CID 57019840
[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride
CID 160830813
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
silver 2-(2,3-diphenylphenyl)-2,2-diphenylacetate
CID 175035267
CID 172733378
CID 172733378
1-chloro-2,3-diphenylbenzene;triazine
CID 175304154
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
1-[dichloro(phenyl)methyl]-2-(2-phenylphenyl)benzene
CID 154421013
1-(3-chloropentan-3-yl)-2-phenylbenzene
CID 142599799
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3-(trichloromethyl)benzene?
The IUPAC name of 1,2-diphenyl-3-(trichloromethyl)benzene (CID 175404490) is 1,2-diphenyl-3-(trichloromethyl)benzene.
What is the SMILES notation for 1,2-diphenyl-3-(trichloromethyl)benzene?
The canonical SMILES for 1,2-diphenyl-3-(trichloromethyl)benzene is ClC(Cl)(Cl)c1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3-(trichloromethyl)benzene?
The InChIKey is CTOGXWWIMVBARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3/c20-19(21,22)17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 1,2-diphenyl-3-(trichloromethyl)benzene?
1,2-diphenyl-3-(trichloromethyl)benzene has a molecular weight of 347.67 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-(trichloromethyl)benzene is sourced from PubChem (CID 175404490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).