(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene

C33H36 — CID 173440563

IUPAC(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
SMILESCC(C)C(C(C)C)(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36/c1-25(2)33(26(3)4,31(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3
InChIKeyAYSPKHVEVXTWMI-UHFFFAOYSA-N
MW432.65 g/mol
LogP8.95
Rot. Bonds8

About (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene

(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene (PubChem CID 173440563) has the molecular formula C33H36 and a molecular weight of 432.65 g/mol. Its IUPAC name is (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene.

Molecular Properties

Compound Name(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
PubChem CID173440563
Molecular FormulaC33H36
Molecular Weight432.65 g/mol
Exact Mass432.28
IUPAC Name(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
SMILESCC(C)C(C(C)C)(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36/c1-25(2)33(26(3)4,31(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3
InChIKeyAYSPKHVEVXTWMI-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)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-benzhydryl-1,1-diphenylbutane-2,3-diamine
CID 175268685
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
chloromethane;cumene;ethane
CID 160847695
1-phenylethanethiol;hydrobromide
CID 173223511
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344
1-phenylethylbenzene;stibane
CID 174965918

Frequently Asked Questions

What is the IUPAC name of (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene?
The IUPAC name of (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene (CID 173440563) is (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene.
What is the SMILES notation for (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene?
The canonical SMILES for (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene is CC(C)C(C(C)C)(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene?
The InChIKey is AYSPKHVEVXTWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36/c1-25(2)33(26(3)4,31(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3.
What are the key properties of (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene?
(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene has a molecular weight of 432.65 g/mol, XLogP of 8.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene is sourced from PubChem (CID 173440563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).