1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene

C26H24 — CID 173440409

IUPAC1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14.C12H10/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-10H,1-2H3;1-10H
InChIKeyHOJVFYWEURNAAG-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.32
Rot. Bonds2

About 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene

1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene (PubChem CID 173440409) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
PubChem CID173440409
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14.C12H10/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-10H,1-2H3;1-10H
InChIKeyHOJVFYWEURNAAG-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
CID 171799040
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene
CID 91366779
1-(4-iodophenyl)-2,3-dimethylbenzene
CID 20871963
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene?
The IUPAC name of 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene (CID 173440409) is 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene?
The canonical SMILES for 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene is Cc1cccc(-c2ccccc2)c1C.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene?
The InChIKey is HOJVFYWEURNAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C12H10/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-10H,1-2H3;1-10H.
What are the key properties of 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene?
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene has a molecular weight of 336.48 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene is sourced from PubChem (CID 173440409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).