1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene

C24H22 — CID 174397877

IUPAC1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
SMILESCc1cccc(C2=CC=CC2)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H12.C12H10/c1-10-5-4-8-12(9-10)11-6-2-3-7-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-6,8-9H,7H2,1H3;1-10H
InChIKeyWKWYKUVMOFKSPJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.69
Rot. Bonds2

About 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene

1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene (PubChem CID 174397877) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
PubChem CID174397877
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
SMILESCc1cccc(C2=CC=CC2)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H12.C12H10/c1-10-5-4-8-12(9-10)11-6-2-3-7-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-6,8-9H,7H2,1H3;1-10H
InChIKeyWKWYKUVMOFKSPJ-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethene;1-methyl-3-phenylbenzene
CID 142622149
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene?
The IUPAC name of 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene (CID 174397877) is 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene?
The canonical SMILES for 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene is Cc1cccc(C2=CC=CC2)c1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene?
The InChIKey is WKWYKUVMOFKSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C12H10/c1-10-5-4-8-12(9-10)11-6-2-3-7-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-6,8-9H,7H2,1H3;1-10H.
What are the key properties of 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene?
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene has a molecular weight of 310.44 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene is sourced from PubChem (CID 174397877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).