4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene

C36H42 — CID 159588973

IUPAC4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCC)cc4)cc3CCC)c(C)c2)cc1
InChIInChI=1S/C36H42/c1-5-8-11-28-13-17-30(18-14-28)32-21-23-35(27(4)25-32)36-24-22-33(26-34(36)10-7-3)31-19-15-29(16-20-31)12-9-6-2/h13-26H,5-12H2,1-4H3
InChIKeyNTHVXWBOKJRMCK-UHFFFAOYSA-N
MW474.73 g/mol
LogP10.63
Rot. Bonds11

About 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene

4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene (PubChem CID 159588973) has the molecular formula C36H42 and a molecular weight of 474.73 g/mol. Its IUPAC name is 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene.

Molecular Properties

Compound Name4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene
PubChem CID159588973
Molecular FormulaC36H42
Molecular Weight474.73 g/mol
Exact Mass474.33
IUPAC Name4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCC)cc4)cc3CCC)c(C)c2)cc1
InChIInChI=1S/C36H42/c1-5-8-11-28-13-17-30(18-14-28)32-21-23-35(27(4)25-32)36-24-22-33(26-34(36)10-7-3)31-19-15-29(16-20-31)12-9-6-2/h13-26H,5-12H2,1-4H3
InChIKeyNTHVXWBOKJRMCK-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
1-butyl-4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]-2-propylbenzene
CID 123979323
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
4-[2,5-dihexyl-4-(2-methyl-4-phenylphenyl)phenyl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline
CID 134560044
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
4-(4-butylphenyl)-2,6-dimethylpyrylium
CID 101036687
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene?
The IUPAC name of 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene (CID 159588973) is 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene.
What is the SMILES notation for 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene?
The canonical SMILES for 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene is CCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCC)cc4)cc3CCC)c(C)c2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene?
The InChIKey is NTHVXWBOKJRMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42/c1-5-8-11-28-13-17-30(18-14-28)32-21-23-35(27(4)25-32)36-24-22-33(26-34(36)10-7-3)31-19-15-29(16-20-31)12-9-6-2/h13-26H,5-12H2,1-4H3.
What are the key properties of 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene?
4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene has a molecular weight of 474.73 g/mol, XLogP of 10.63, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene is sourced from PubChem (CID 159588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).