1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene

C29H28 — CID 59814152

IUPAC1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C29H28/c1-21-15-17-25(19-27(21)23-11-7-5-8-12-23)29(3,4)26-18-16-22(2)28(20-26)24-13-9-6-10-14-24/h5-20H,1-4H3
InChIKeyNGLSONJZZACMIY-UHFFFAOYSA-N
MW376.54 g/mol
LogP7.96
Rot. Bonds4

About 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene

1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene (PubChem CID 59814152) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
PubChem CID59814152
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C29H28/c1-21-15-17-25(19-27(21)23-11-7-5-8-12-23)29(3,4)26-18-16-22(2)28(20-26)24-13-9-6-10-14-24/h5-20H,1-4H3
InChIKeyNGLSONJZZACMIY-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-(4-pentoxy-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
CID 121399626
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
CID 169187760
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-phenylphenol
CID 19824837
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
1,5-dimethyl-2-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]pyridin-1-ium
CID 167365808
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol
CID 21277070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene?
The IUPAC name of 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene (CID 59814152) is 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene.
What is the SMILES notation for 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene?
The canonical SMILES for 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene is Cc1ccc(C(C)(C)c2ccc(C)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene?
The InChIKey is NGLSONJZZACMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28/c1-21-15-17-25(19-27(21)23-11-7-5-8-12-23)29(3,4)26-18-16-22(2)28(20-26)24-13-9-6-10-14-24/h5-20H,1-4H3.
What are the key properties of 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene?
1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene has a molecular weight of 376.54 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene is sourced from PubChem (CID 59814152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).