1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene

C33H28 — CID 59552733

IUPAC1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2cccc(-c3cc(C)cc(-c4cccc(-c5ccc(C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C33H28/c1-23-10-14-26(15-11-23)28-6-4-8-30(20-28)32-18-25(3)19-33(22-32)31-9-5-7-29(21-31)27-16-12-24(2)13-17-27/h4-22H,1-3H3
InChIKeyDJOUDBJCUNVZDS-UHFFFAOYSA-N
MW424.59 g/mol
LogP9.28
Rot. Bonds4

About 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene

1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene (PubChem CID 59552733) has the molecular formula C33H28 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
PubChem CID59552733
Molecular FormulaC33H28
Molecular Weight424.59 g/mol
Exact Mass424.22
IUPAC Name1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2cccc(-c3cc(C)cc(-c4cccc(-c5ccc(C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C33H28/c1-23-10-14-26(15-11-23)28-6-4-8-30(20-28)32-18-25(3)19-33(22-32)31-9-5-7-29(21-31)27-16-12-24(2)13-17-27/h4-22H,1-3H3
InChIKeyDJOUDBJCUNVZDS-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-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
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
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene (CID 59552733) is 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2cccc(-c3cc(C)cc(-c4cccc(-c5ccc(C)cc5)c4)c3)c2)cc1.
What is the InChIKey of 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene?
The InChIKey is DJOUDBJCUNVZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28/c1-23-10-14-26(15-11-23)28-6-4-8-30(20-28)32-18-25(3)19-33(22-32)31-9-5-7-29(21-31)27-16-12-24(2)13-17-27/h4-22H,1-3H3.
What are the key properties of 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene?
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]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 1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 59552733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).