2-methyl-1,3-bis(3-phenylphenyl)benzene

C31H24 — CID 162497496

IUPAC2-methyl-1,3-bis(3-phenylphenyl)benzene
SMILESCc1c(-c2cccc(-c3ccccc3)c2)cccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C31H24/c1-23-30(28-17-8-15-26(21-28)24-11-4-2-5-12-24)19-10-20-31(23)29-18-9-16-27(22-29)25-13-6-3-7-14-25/h2-22H,1H3
InChIKeyXHIVAUWHOIAMCE-UHFFFAOYSA-N
MW396.53 g/mol
LogP8.66
Rot. Bonds4

About 2-methyl-1,3-bis(3-phenylphenyl)benzene

2-methyl-1,3-bis(3-phenylphenyl)benzene (PubChem CID 162497496) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-methyl-1,3-bis(3-phenylphenyl)benzene.

Molecular Properties

Compound Name2-methyl-1,3-bis(3-phenylphenyl)benzene
PubChem CID162497496
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name2-methyl-1,3-bis(3-phenylphenyl)benzene
SMILESCc1c(-c2cccc(-c3ccccc3)c2)cccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C31H24/c1-23-30(28-17-8-15-26(21-28)24-11-4-2-5-12-24)19-10-20-31(23)29-18-9-16-27(22-29)25-13-6-3-7-14-25/h2-22H,1H3
InChIKeyXHIVAUWHOIAMCE-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene
CID 157326464
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
bis(1,3-diphenylbenzene);ethane
CID 144938975
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2-methyl-1,3-diphenylbenzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 165013304
1,3-diphenylbenzene;ethane;methane
CID 171489435
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(3-phenylphenyl)benzene?
The IUPAC name of 2-methyl-1,3-bis(3-phenylphenyl)benzene (CID 162497496) is 2-methyl-1,3-bis(3-phenylphenyl)benzene.
What is the SMILES notation for 2-methyl-1,3-bis(3-phenylphenyl)benzene?
The canonical SMILES for 2-methyl-1,3-bis(3-phenylphenyl)benzene is Cc1c(-c2cccc(-c3ccccc3)c2)cccc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-1,3-bis(3-phenylphenyl)benzene?
The InChIKey is XHIVAUWHOIAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24/c1-23-30(28-17-8-15-26(21-28)24-11-4-2-5-12-24)19-10-20-31(23)29-18-9-16-27(22-29)25-13-6-3-7-14-25/h2-22H,1H3.
What are the key properties of 2-methyl-1,3-bis(3-phenylphenyl)benzene?
2-methyl-1,3-bis(3-phenylphenyl)benzene has a molecular weight of 396.53 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(3-phenylphenyl)benzene is sourced from PubChem (CID 162497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).