(5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene

C36H42 — CID 57268598

IUPAC(5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene
SMILESCCC(C)(C)C(c1ccccc1)(C(C)C)C(c1ccccc1)(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C36H42/c1-7-34(5,6)36(28(2)3,33-26-18-11-19-27-33)35(31-22-14-9-15-23-31,32-24-16-10-17-25-32)29(4)30-20-12-8-13-21-30/h8-29H,7H2,1-6H3
InChIKeyQAIWYOUAHVGFJZ-UHFFFAOYSA-N
MW474.73 g/mol
LogP9.81
Rot. Bonds9

About (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene

(5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene (PubChem CID 57268598) has the molecular formula C36H42 and a molecular weight of 474.73 g/mol. Its IUPAC name is (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene.

Molecular Properties

Compound Name(5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene
PubChem CID57268598
Molecular FormulaC36H42
Molecular Weight474.73 g/mol
Exact Mass474.33
IUPAC Name(5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene
SMILESCCC(C)(C)C(c1ccccc1)(C(C)C)C(c1ccccc1)(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C36H42/c1-7-34(5,6)36(28(2)3,33-26-18-11-19-27-33)35(31-22-14-9-15-23-31,32-24-16-10-17-25-32)29(4)30-20-12-8-13-21-30/h8-29H,7H2,1-6H3
InChIKeyQAIWYOUAHVGFJZ-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303
2-amino-3-phenylbutan-2-ol
CID 68615274
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
ethane;3-methylpentan-3-ylbenzene
CID 90745317
1,1,2-triphenylpropane-1-thiol
CID 174950474
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
triethyl-[phenyl(triethylsilyl)methyl]silane
CID 18669816
4,4-dimethyl-3-phenylhexane-3-thiol
CID 163513171
(2-methyl-3,4-diphenylpentan-2-yl)benzene
CID 173387028

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene?
The IUPAC name of (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene (CID 57268598) is (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene.
What is the SMILES notation for (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene?
The canonical SMILES for (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene is CCC(C)(C)C(c1ccccc1)(C(C)C)C(c1ccccc1)(c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene?
The InChIKey is QAIWYOUAHVGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42/c1-7-34(5,6)36(28(2)3,33-26-18-11-19-27-33)35(31-22-14-9-15-23-31,32-24-16-10-17-25-32)29(4)30-20-12-8-13-21-30/h8-29H,7H2,1-6H3.
What are the key properties of (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene?
(5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene has a molecular weight of 474.73 g/mol, XLogP of 9.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene is sourced from PubChem (CID 57268598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).