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

C34H30 — CID 58892382

IUPAC1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(-c4cc(C)cc(C)c4)cc3)c2)cc1
InChIInChI=1S/C34H30/c1-23-5-9-27(10-6-23)32-20-33(28-11-7-24(2)8-12-28)22-34(21-32)30-15-13-29(14-16-30)31-18-25(3)17-26(4)19-31/h5-22H,1-4H3
InChIKeyAPGUDFJGYOLIQE-UHFFFAOYSA-N
MW438.61 g/mol
LogP9.59
Rot. Bonds4

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

1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene (PubChem CID 58892382) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
PubChem CID58892382
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(-c4cc(C)cc(C)c4)cc3)c2)cc1
InChIInChI=1S/C34H30/c1-23-5-9-27(10-6-23)32-20-33(28-11-7-24(2)8-12-28)22-34(21-32)30-15-13-29(14-16-30)31-18-25(3)17-26(4)19-31/h5-22H,1-4H3
InChIKeyAPGUDFJGYOLIQE-UHFFFAOYSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
CID 123650314
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene
CID 142960014
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene (CID 58892382) is 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene is Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(-c4cc(C)cc(C)c4)cc3)c2)cc1.
What is the InChIKey of 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene?
The InChIKey is APGUDFJGYOLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-23-5-9-27(10-6-23)32-20-33(28-11-7-24(2)8-12-28)22-34(21-32)30-15-13-29(14-16-30)31-18-25(3)17-26(4)19-31/h5-22H,1-4H3.
What are the key properties of 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene?
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene has a molecular weight of 438.61 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene is sourced from PubChem (CID 58892382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).