1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene

C38H30 — CID 58892417

IUPAC1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(C)cc(-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C38H30/c1-27-13-15-31(16-14-27)37-24-36(30-11-7-4-8-12-30)25-38(26-37)33-19-17-32(18-20-33)35-22-28(2)21-34(23-35)29-9-5-3-6-10-29/h3-26H,1-2H3
InChIKeyWKMAVALWBKKFOV-UHFFFAOYSA-N
MW486.66 g/mol
LogP10.64
Rot. Bonds5

About 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene

1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene (PubChem CID 58892417) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene.

Molecular Properties

Compound Name1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
PubChem CID58892417
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(C)cc(-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C38H30/c1-27-13-15-31(16-14-27)37-24-36(30-11-7-4-8-12-30)25-38(26-37)33-19-17-32(18-20-33)35-22-28(2)21-34(23-35)29-9-5-3-6-10-29/h3-26H,1-2H3
InChIKeyWKMAVALWBKKFOV-UHFFFAOYSA-N
XLogP10.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene?
The IUPAC name of 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene (CID 58892417) is 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene.
What is the SMILES notation for 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene?
The canonical SMILES for 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(C)cc(-c5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene?
The InChIKey is WKMAVALWBKKFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-27-13-15-31(16-14-27)37-24-36(30-11-7-4-8-12-30)25-38(26-37)33-19-17-32(18-20-33)35-22-28(2)21-34(23-35)29-9-5-3-6-10-29/h3-26H,1-2H3.
What are the key properties of 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene?
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene has a molecular weight of 486.66 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene is sourced from PubChem (CID 58892417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).