1,2,3-triphenyl-4-(trichloromethyl)benzene

C25H17Cl3 — CID 57019840

IUPAC1,2,3-triphenyl-4-(trichloromethyl)benzene
SMILESClC(Cl)(Cl)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H17Cl3/c26-25(27,28)22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)24(22)20-14-8-3-9-15-20/h1-17H
InChIKeyBHGJNEOKJBXVAQ-UHFFFAOYSA-N
MW423.77 g/mol
LogP8.51
Rot. Bonds3

About 1,2,3-triphenyl-4-(trichloromethyl)benzene

1,2,3-triphenyl-4-(trichloromethyl)benzene (PubChem CID 57019840) has the molecular formula C25H17Cl3 and a molecular weight of 423.77 g/mol. Its IUPAC name is 1,2,3-triphenyl-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2,3-triphenyl-4-(trichloromethyl)benzene
PubChem CID57019840
Molecular FormulaC25H17Cl3
Molecular Weight423.77 g/mol
Exact Mass422.04
IUPAC Name1,2,3-triphenyl-4-(trichloromethyl)benzene
SMILESClC(Cl)(Cl)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H17Cl3/c26-25(27,28)22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)24(22)20-14-8-3-9-15-20/h1-17H
InChIKeyBHGJNEOKJBXVAQ-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 58.51
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-diphenyl-3-(trichloromethyl)benzene
CID 175404490
1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene
CID 175447988
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
ruthenium;(2,3,4-triphenylphenyl)phosphane
CID 161293596
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
3,4-diphenylbenzene-1,2-dithiol
CID 22227433
(2,3,4-triphenylphenyl)hydrazine
CID 67058028
6-chloro-2,3-diphenylphenol
CID 174572078
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
CID 87586907
3-[3,4-diphenyl-2-[4-(2,3,6-triphenylphenyl)phenyl]phenyl]benzenethiol
CID 70842936
hydroxy-(2,3,4-triphenylphenyl)phosphanium bromide
CID 159320906
1,2-diphenylnaphthalene
CID 11208267

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenyl-4-(trichloromethyl)benzene?
The IUPAC name of 1,2,3-triphenyl-4-(trichloromethyl)benzene (CID 57019840) is 1,2,3-triphenyl-4-(trichloromethyl)benzene.
What is the SMILES notation for 1,2,3-triphenyl-4-(trichloromethyl)benzene?
The canonical SMILES for 1,2,3-triphenyl-4-(trichloromethyl)benzene is ClC(Cl)(Cl)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2,3-triphenyl-4-(trichloromethyl)benzene?
The InChIKey is BHGJNEOKJBXVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3/c26-25(27,28)22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)24(22)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 1,2,3-triphenyl-4-(trichloromethyl)benzene?
1,2,3-triphenyl-4-(trichloromethyl)benzene has a molecular weight of 423.77 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenyl-4-(trichloromethyl)benzene is sourced from PubChem (CID 57019840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).