1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene

C31H24 — CID 123280286

IUPAC1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
SMILESCc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C31H24/c1-23-10-8-15-26(18-23)30-20-29(25-13-6-3-7-14-25)21-31(22-30)28-17-9-16-27(19-28)24-11-4-2-5-12-24/h2-22H,1H3
InChIKeyMJCBJRJCIDCDNZ-UHFFFAOYSA-N
MW396.53 g/mol
LogP8.66
Rot. Bonds4

About 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene

1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene (PubChem CID 123280286) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
PubChem CID123280286
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
SMILESCc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C31H24/c1-23-10-8-15-26(18-23)30-20-29(25-13-6-3-7-14-25)21-31(22-30)28-17-9-16-27(19-28)24-11-4-2-5-12-24/h2-22H,1H3
InChIKeyMJCBJRJCIDCDNZ-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-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
ethene;1-methyl-3-phenylbenzene
CID 142622149
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene?
The IUPAC name of 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene (CID 123280286) is 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene.
What is the SMILES notation for 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene?
The canonical SMILES for 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene is Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene?
The InChIKey is MJCBJRJCIDCDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24/c1-23-10-8-15-26(18-23)30-20-29(25-13-6-3-7-14-25)21-31(22-30)28-17-9-16-27(19-28)24-11-4-2-5-12-24/h2-22H,1H3.
What are the key properties of 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene?
1-(3-methylphenyl)-3-phenyl-5-(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 1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene is sourced from PubChem (CID 123280286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).