1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene

C42H40 — CID 160951739

IUPAC1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/2C21H20/c1-16(2)20-9-6-10-21(15-20)19-13-11-18(12-14-19)17-7-4-3-5-8-17;1-16(2)17-8-10-20(11-9-17)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h2*3-16H,1-2H3
InChIKeySVVSXWZUHUZGAG-UHFFFAOYSA-N
MW544.78 g/mol
LogP12.29
Rot. Bonds6

About 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene

1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene (PubChem CID 160951739) has the molecular formula C42H40 and a molecular weight of 544.78 g/mol. Its IUPAC name is 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
PubChem CID160951739
Molecular FormulaC42H40
Molecular Weight544.78 g/mol
Exact Mass544.31
IUPAC Name1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/2C21H20/c1-16(2)20-9-6-10-21(15-20)19-13-11-18(12-14-19)17-7-4-3-5-8-17;1-16(2)17-8-10-20(11-9-17)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h2*3-16H,1-2H3
InChIKeySVVSXWZUHUZGAG-UHFFFAOYSA-N
XLogP12.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.78
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene
CID 123974546
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
2-(3-propan-2-ylphenyl)anthracene
CID 175212128
3-(4-propan-2-ylphenyl)aniline
CID 28911760
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 167218956
ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
CID 142053065

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene (CID 160951739) is 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene is CC(C)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene?
The InChIKey is SVVSXWZUHUZGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20/c1-16(2)20-9-6-10-21(15-20)19-13-11-18(12-14-19)17-7-4-3-5-8-17;1-16(2)17-8-10-20(11-9-17)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h2*3-16H,1-2H3.
What are the key properties of 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene?
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene has a molecular weight of 544.78 g/mol, XLogP of 12.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 160951739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).