1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene

C48H42 — CID 59609379

IUPAC1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
SMILESCc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1
InChIInChI=1S/C48H42/c1-31-17-13-15-23-39(31)45-29-48(44-28-42(34(4)26-36(44)6)38-21-11-8-12-22-38)46(40-24-16-14-18-32(40)2)30-47(45)43-27-41(33(3)25-35(43)5)37-19-9-7-10-20-37/h7-30H,1-6H3
InChIKeyJNAMICFBORBZFQ-UHFFFAOYSA-N
MW618.86 g/mol
LogP13.54
Rot. Bonds6

About 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene

1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene (PubChem CID 59609379) has the molecular formula C48H42 and a molecular weight of 618.86 g/mol. Its IUPAC name is 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene.

Molecular Properties

Compound Name1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
PubChem CID59609379
Molecular FormulaC48H42
Molecular Weight618.86 g/mol
Exact Mass618.33
IUPAC Name1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
SMILESCc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1
InChIInChI=1S/C48H42/c1-31-17-13-15-23-39(31)45-29-48(44-28-42(34(4)26-36(44)6)38-21-11-8-12-22-38)46(40-24-16-14-18-32(40)2)30-47(45)43-27-41(33(3)25-35(43)5)37-19-9-7-10-20-37/h7-30H,1-6H3
InChIKeyJNAMICFBORBZFQ-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

1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene
CID 59609421
1,4-dimethyl-2,5-bis(2-methylphenyl)benzene;1-methyl-3,5-diphenylbenzene;toluene
CID 144920257
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine
CID 59609388
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene?
The IUPAC name of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene (CID 59609379) is 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene.
What is the SMILES notation for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene?
The canonical SMILES for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene is Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1.
What is the InChIKey of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene?
The InChIKey is JNAMICFBORBZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42/c1-31-17-13-15-23-39(31)45-29-48(44-28-42(34(4)26-36(44)6)38-21-11-8-12-22-38)46(40-24-16-14-18-32(40)2)30-47(45)43-27-41(33(3)25-35(43)5)37-19-9-7-10-20-37/h7-30H,1-6H3.
What are the key properties of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene?
1,4-bis(2,4-dimethyl-5-phenylphenyl)-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(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene is sourced from PubChem (CID 59609379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).