[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene

C48H58 — CID 20612915

IUPAC[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene
SMILESCCC(C)(CC(C)(CCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C48H58/c1-8-45(4,40-26-16-10-17-27-40)37-46(5,41-28-18-11-19-29-41)34-35-47(6,42-30-20-12-21-31-42)38-48(7,43-32-22-13-23-33-43)36-44(2,3)39-24-14-9-15-25-39/h9-33H,8,34-38H2,1-7H3
InChIKeyATTKHAFZCHMCBP-UHFFFAOYSA-N
MW634.99 g/mol
LogP13.16
Rot. Bonds15

About [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene

[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene (PubChem CID 20612915) has the molecular formula C48H58 and a molecular weight of 634.99 g/mol. Its IUPAC name is [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene.

Molecular Properties

Compound Name[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene
PubChem CID20612915
Molecular FormulaC48H58
Molecular Weight634.99 g/mol
Exact Mass634.45
IUPAC Name[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene
SMILESCCC(C)(CC(C)(CCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C48H58/c1-8-45(4,40-26-16-10-17-27-40)37-46(5,41-28-18-11-19-29-41)34-35-47(6,42-30-20-12-21-31-42)38-48(7,43-32-22-13-23-33-43)36-44(2,3)39-24-14-9-15-25-39/h9-33H,8,34-38H2,1-7H3
InChIKeyATTKHAFZCHMCBP-UHFFFAOYSA-N
XLogP13.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.99
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 91457518
ethane;3-methylpentan-3-ylbenzene
CID 90745317
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
CID 158792811
CID 158792811
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene?
The IUPAC name of [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene (CID 20612915) is [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene.
What is the SMILES notation for [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene?
The canonical SMILES for [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene is CCC(C)(CC(C)(CCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene?
The InChIKey is ATTKHAFZCHMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58/c1-8-45(4,40-26-16-10-17-27-40)37-46(5,41-28-18-11-19-29-41)34-35-47(6,42-30-20-12-21-31-42)38-48(7,43-32-22-13-23-33-43)36-44(2,3)39-24-14-9-15-25-39/h9-33H,8,34-38H2,1-7H3.
What are the key properties of [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene?
[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene has a molecular weight of 634.99 g/mol, XLogP of 13.16, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene is sourced from PubChem (CID 20612915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).