1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene

C23H22Cl2 — CID 57254584

IUPAC1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
SMILESCCCCC(c1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2/c1-2-3-17-23(18-7-5-4-6-8-18,19-9-13-21(24)14-10-19)20-11-15-22(25)16-12-20/h4-16H,2-3,17H2,1H3
InChIKeyKUXFXQVWZCYWMN-UHFFFAOYSA-N
MW369.34 g/mol
LogP7.52
Rot. Bonds6

About 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene

1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene (PubChem CID 57254584) has the molecular formula C23H22Cl2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
PubChem CID57254584
Molecular FormulaC23H22Cl2
Molecular Weight369.34 g/mol
Exact Mass368.11
IUPAC Name1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
SMILESCCCCC(c1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2/c1-2-3-17-23(18-7-5-4-6-8-18,19-9-13-21(24)14-10-19)20-11-15-22(25)16-12-20/h4-16H,2-3,17H2,1H3
InChIKeyKUXFXQVWZCYWMN-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[1-phenyl-1-(4-sulfanylphenyl)pentyl]benzenethiol
CID 156622039
CID 70496075
CID 70496075
1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene
CID 15645325
tributyl(4,4,4-triphenylbutyl)azanium
CID 118467118
4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
CID 57326677
1,1-diphenylpentan-1-amine
CID 10263654
chlorobenzene;undecane-5,5-diol
CID 159903559
heptadecyl(3,3,3-triphenylpropyl)phosphane
CID 69389149
CID 123237849
CID 123237849
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
1-chloro-4-tritylbenzene
CID 14737307
1,1-diphenylbutylbenzene;tetrabutylazanium
CID 173340312

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene?
The IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene (CID 57254584) is 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene is CCCCC(c1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene?
The InChIKey is KUXFXQVWZCYWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2/c1-2-3-17-23(18-7-5-4-6-8-18,19-9-13-21(24)14-10-19)20-11-15-22(25)16-12-20/h4-16H,2-3,17H2,1H3.
What are the key properties of 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene?
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene has a molecular weight of 369.34 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene is sourced from PubChem (CID 57254584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).