1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene

C48H42 — CID 59609351

IUPAC1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4C)ccc3C)cc2-c2ccccc2C)c1
InChIInChI=1S/C48H42/c1-31-15-7-11-19-39(31)37-25-23-35(5)43(27-37)47-29-46(42-22-14-10-18-34(42)4)48(30-45(47)41-21-13-9-17-33(41)3)44-28-38(26-24-36(44)6)40-20-12-8-16-32(40)2/h7-30H,1-6H3
InChIKeyNMQPJICXCZYSGG-UHFFFAOYSA-N
MW618.86 g/mol
LogP13.54
Rot. Bonds6

About 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene

1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene (PubChem CID 59609351) has the molecular formula C48H42 and a molecular weight of 618.86 g/mol. Its IUPAC name is 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene.

Molecular Properties

Compound Name1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
PubChem CID59609351
Molecular FormulaC48H42
Molecular Weight618.86 g/mol
Exact Mass618.33
IUPAC Name1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4C)ccc3C)cc2-c2ccccc2C)c1
InChIInChI=1S/C48H42/c1-31-15-7-11-19-39(31)37-25-23-35(5)43(27-37)47-29-46(42-22-14-10-18-34(42)4)48(30-45(47)41-21-13-9-17-33(41)3)44-28-38(26-24-36(44)6)40-20-12-8-16-32(40)2/h7-30H,1-6H3
InChIKeyNMQPJICXCZYSGG-UHFFFAOYSA-N
XLogP13.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.86
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
1,2-dimethyl-3-[2-methyl-5-(2-methylphenyl)phenyl]benzene
CID 123207081
1-[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)-4-[2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 59609359
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
CID 59609379
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
CID 144803354
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene?
The IUPAC name of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene (CID 59609351) is 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene.
What is the SMILES notation for 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene?
The canonical SMILES for 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene is Cc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4C)ccc3C)cc2-c2ccccc2C)c1.
What is the InChIKey of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene?
The InChIKey is NMQPJICXCZYSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42/c1-31-15-7-11-19-39(31)37-25-23-35(5)43(27-37)47-29-46(42-22-14-10-18-34(42)4)48(30-45(47)41-21-13-9-17-33(41)3)44-28-38(26-24-36(44)6)40-20-12-8-16-32(40)2/h7-30H,1-6H3.
What are the key properties of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene?
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene has a molecular weight of 618.86 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene is sourced from PubChem (CID 59609351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).