1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene

C30H24Br2 — CID 71534409

IUPAC1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene
SMILESC[C@@]1(c2ccccc2)C(c2ccc(Br)cc2)=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C30H24Br2/c1-30(24-10-6-3-7-11-24)28(22-12-16-25(31)17-13-22)20-27(21-8-4-2-5-9-21)29(30)23-14-18-26(32)19-15-23/h2-19,28H,20H2,1H3/t28-,30-/m0/s1
InChIKeyICPXHMBWOFRLIO-JDXGNMNLSA-N
MW544.33 g/mol
LogP9.27
Rot. Bonds4

About 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene

1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene (PubChem CID 71534409) has the molecular formula C30H24Br2 and a molecular weight of 544.33 g/mol. Its IUPAC name is 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene
PubChem CID71534409
Molecular FormulaC30H24Br2
Molecular Weight544.33 g/mol
Exact Mass542.02
IUPAC Name1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene
SMILESC[C@@]1(c2ccccc2)C(c2ccc(Br)cc2)=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C30H24Br2/c1-30(24-10-6-3-7-11-24)28(22-12-16-25(31)17-13-22)20-27(21-8-4-2-5-9-21)29(30)23-14-18-26(32)19-15-23/h2-19,28H,20H2,1H3/t28-,30-/m0/s1
InChIKeyICPXHMBWOFRLIO-JDXGNMNLSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.33
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene?
The IUPAC name of 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene (CID 71534409) is 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene?
The canonical SMILES for 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene is C[C@@]1(c2ccccc2)C(c2ccc(Br)cc2)=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene?
The InChIKey is ICPXHMBWOFRLIO-JDXGNMNLSA-N. The full InChI is InChI=1S/C30H24Br2/c1-30(24-10-6-3-7-11-24)28(22-12-16-25(31)17-13-22)20-27(21-8-4-2-5-9-21)29(30)23-14-18-26(32)19-15-23/h2-19,28H,20H2,1H3/t28-,30-/m0/s1.
What are the key properties of 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene?
1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene has a molecular weight of 544.33 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene is sourced from PubChem (CID 71534409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).