1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene

C31H24 — CID 153438411

IUPAC1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
SMILESCc1cccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)c1
InChIInChI=1S/C31H24/c1-23-8-5-11-27(20-23)29-13-7-15-31(22-29)30-14-6-12-28(21-30)26-18-16-25(17-19-26)24-9-3-2-4-10-24/h2-22H,1H3
InChIKeyMFVJOXXLTJJKQK-UHFFFAOYSA-N
MW396.53 g/mol
LogP8.66
Rot. Bonds4

About 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene

1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene (PubChem CID 153438411) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
PubChem CID153438411
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
SMILESCc1cccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)c1
InChIInChI=1S/C31H24/c1-23-8-5-11-27(20-23)29-13-7-15-31(22-29)30-14-6-12-28(21-30)26-18-16-25(17-19-26)24-9-3-2-4-10-24/h2-22H,1H3
InChIKeyMFVJOXXLTJJKQK-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-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
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
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethene;1-methyl-3-phenylbenzene
CID 142622149

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene (CID 153438411) is 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene is Cc1cccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)c1.
What is the InChIKey of 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene?
The InChIKey is MFVJOXXLTJJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24/c1-23-8-5-11-27(20-23)29-13-7-15-31(22-29)30-14-6-12-28(21-30)26-18-16-25(17-19-26)24-9-3-2-4-10-24/h2-22H,1H3.
What are the key properties of 1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene?
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]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-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 153438411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).