[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene

C31H31Br — CID 150072887

IUPAC[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene
SMILESCC(CC(CC(CBr)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31Br/c1-25(26-14-6-2-7-15-26)22-31(29-18-10-4-11-19-29,30-20-12-5-13-21-30)23-28(24-32)27-16-8-3-9-17-27/h2-21,25,28H,22-24H2,1H3
InChIKeyDPQNLJCERZTLNZ-UHFFFAOYSA-N
MW483.49 g/mol
LogP8.74
Rot. Bonds9

About [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene

[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene (PubChem CID 150072887) has the molecular formula C31H31Br and a molecular weight of 483.49 g/mol. Its IUPAC name is [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene.

Molecular Properties

Compound Name[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene
PubChem CID150072887
Molecular FormulaC31H31Br
Molecular Weight483.49 g/mol
Exact Mass482.16
IUPAC Name[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene
SMILESCC(CC(CC(CBr)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31Br/c1-25(26-14-6-2-7-15-26)22-31(29-18-10-4-11-19-29,30-20-12-5-13-21-30)23-28(24-32)27-16-8-3-9-17-27/h2-21,25,28H,22-24H2,1H3
InChIKeyDPQNLJCERZTLNZ-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene
CID 134214905
(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
CID 158429198
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(1-bromo-3-tert-butylsulfonylpropan-2-yl)benzene
CID 65017209
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
(1-bromo-3-ethylsulfonylpropan-2-yl)benzene
CID 65017155
1-[(3-bromo-2-phenylpropyl)-ethylamino]-2-methylpropan-2-ol
CID 79389825

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene?
The IUPAC name of [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene (CID 150072887) is [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene.
What is the SMILES notation for [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene?
The canonical SMILES for [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene is CC(CC(CC(CBr)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene?
The InChIKey is DPQNLJCERZTLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31Br/c1-25(26-14-6-2-7-15-26)22-31(29-18-10-4-11-19-29,30-20-12-5-13-21-30)23-28(24-32)27-16-8-3-9-17-27/h2-21,25,28H,22-24H2,1H3.
What are the key properties of [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene?
[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene has a molecular weight of 483.49 g/mol, XLogP of 8.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene is sourced from PubChem (CID 150072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).