1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene

C30H25Cl — CID 170132096

IUPAC1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene
SMILESClc1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C30H25Cl/c31-30-20-28(25-16-14-24(15-17-25)22-8-3-1-4-9-22)19-29(21-30)27-13-7-12-26(18-27)23-10-5-2-6-11-23/h2,5-8,10-21H,1,3-4,9H2
InChIKeyNBPRTBPUZRIJTJ-UHFFFAOYSA-N
MW420.98 g/mol
LogP9.30
Rot. Bonds4

About 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene

1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene (PubChem CID 170132096) has the molecular formula C30H25Cl and a molecular weight of 420.98 g/mol. Its IUPAC name is 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene
PubChem CID170132096
Molecular FormulaC30H25Cl
Molecular Weight420.98 g/mol
Exact Mass420.16
IUPAC Name1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene
SMILESClc1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C30H25Cl/c31-30-20-28(25-16-14-24(15-17-25)22-8-3-1-4-9-22)19-29(21-30)27-13-7-12-26(18-27)23-10-5-2-6-11-23/h2,5-8,10-21H,1,3-4,9H2
InChIKeyNBPRTBPUZRIJTJ-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene?
The IUPAC name of 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene (CID 170132096) is 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene.
What is the SMILES notation for 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene?
The canonical SMILES for 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene is Clc1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene?
The InChIKey is NBPRTBPUZRIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl/c31-30-20-28(25-16-14-24(15-17-25)22-8-3-1-4-9-22)19-29(21-30)27-13-7-12-26(18-27)23-10-5-2-6-11-23/h2,5-8,10-21H,1,3-4,9H2.
What are the key properties of 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene?
1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene has a molecular weight of 420.98 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene is sourced from PubChem (CID 170132096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).