2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene

C33H28 — CID 162497500

IUPAC2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
SMILESCc1cc(-c2ccccc2)ccc1-c1cccc(-c2ccc(-c3ccccc3)cc2C)c1C
InChIInChI=1S/C33H28/c1-23-21-28(26-11-6-4-7-12-26)17-19-30(23)32-15-10-16-33(25(32)3)31-20-18-29(22-24(31)2)27-13-8-5-9-14-27/h4-22H,1-3H3
InChIKeyVUKUUSDQJRDFOX-UHFFFAOYSA-N
MW424.59 g/mol
LogP9.28
Rot. Bonds4

About 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene

2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene (PubChem CID 162497500) has the molecular formula C33H28 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene.

Molecular Properties

Compound Name2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
PubChem CID162497500
Molecular FormulaC33H28
Molecular Weight424.59 g/mol
Exact Mass424.22
IUPAC Name2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
SMILESCc1cc(-c2ccccc2)ccc1-c1cccc(-c2ccc(-c3ccccc3)cc2C)c1C
InChIInChI=1S/C33H28/c1-23-21-28(26-11-6-4-7-12-26)17-19-30(23)32-15-10-16-33(25(32)3)31-20-18-29(22-24(31)2)27-13-8-5-9-14-27/h4-22H,1-3H3
InChIKeyVUKUUSDQJRDFOX-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
CID 171799040
2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene
CID 157326464
1,4-bis(3-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;2,4-dimethyl-1-phenylbenzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-2-[2-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(3-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162149152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene?
The IUPAC name of 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene (CID 162497500) is 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene.
What is the SMILES notation for 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene?
The canonical SMILES for 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene is Cc1cc(-c2ccccc2)ccc1-c1cccc(-c2ccc(-c3ccccc3)cc2C)c1C.
What is the InChIKey of 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene?
The InChIKey is VUKUUSDQJRDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28/c1-23-21-28(26-11-6-4-7-12-26)17-19-30(23)32-15-10-16-33(25(32)3)31-20-18-29(22-24(31)2)27-13-8-5-9-14-27/h4-22H,1-3H3.
What are the key properties of 2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene?
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene has a molecular weight of 424.59 g/mol, XLogP of 9.28, 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(2-methyl-4-phenylphenyl)benzene is sourced from PubChem (CID 162497500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).