2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene

C31H31F — CID 59133253

IUPAC2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(C)c(-c3cc(C)c(-c4cc(C)c(F)c(C)c4)c(C)c3)c(C)c2)cc1
InChIInChI=1S/C31H31F/c1-18-8-10-25(11-9-18)26-12-19(2)29(20(3)13-26)27-14-21(4)30(22(5)15-27)28-16-23(6)31(32)24(7)17-28/h8-17H,1-7H3
InChIKeyRMZMVCPTEGOBMW-UHFFFAOYSA-N
MW422.59 g/mol
LogP8.99
Rot. Bonds3

About 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene

2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene (PubChem CID 59133253) has the molecular formula C31H31F and a molecular weight of 422.59 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
PubChem CID59133253
Molecular FormulaC31H31F
Molecular Weight422.59 g/mol
Exact Mass422.24
IUPAC Name2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(C)c(-c3cc(C)c(-c4cc(C)c(F)c(C)c4)c(C)c3)c(C)c2)cc1
InChIInChI=1S/C31H31F/c1-18-8-10-25(11-9-18)26-12-19(2)29(20(3)13-26)27-14-21(4)30(22(5)15-27)28-16-23(6)31(32)24(7)17-28/h8-17H,1-7H3
InChIKeyRMZMVCPTEGOBMW-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene?
The IUPAC name of 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene (CID 59133253) is 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene.
What is the SMILES notation for 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene?
The canonical SMILES for 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene is Cc1ccc(-c2cc(C)c(-c3cc(C)c(-c4cc(C)c(F)c(C)c4)c(C)c3)c(C)c2)cc1.
What is the InChIKey of 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene?
The InChIKey is RMZMVCPTEGOBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F/c1-18-8-10-25(11-9-18)26-12-19(2)29(20(3)13-26)27-14-21(4)30(22(5)15-27)28-16-23(6)31(32)24(7)17-28/h8-17H,1-7H3.
What are the key properties of 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene?
2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene has a molecular weight of 422.59 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene is sourced from PubChem (CID 59133253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).