(2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene

C23H17Br — CID 71517029

IUPAC(2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene
SMILESBrC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H17Br/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeySRIJWVHBNPPKLT-UHFFFAOYSA-N
MW373.29 g/mol
LogP6.81
Rot. Bonds3

About (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene

(2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 71517029) has the molecular formula C23H17Br and a molecular weight of 373.29 g/mol. Its IUPAC name is (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID71517029
Molecular FormulaC23H17Br
Molecular Weight373.29 g/mol
Exact Mass372.05
IUPAC Name(2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene
SMILESBrC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H17Br/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeySRIJWVHBNPPKLT-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethenone;(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene
CID 174611825
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CID 174669265
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
(2-bromocyclobuten-1-yl)benzene
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(2-bromocyclopenten-1-yl)benzene
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CID 102161513
dichlorozirconium;(2,3-diphenylcyclopenta-1,3-dien-1-yl)benzene
CID 175269325
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
2,4,5-triphenyl-3H-pyrrole
CID 143156770
1-iodo-4-(2-phenylcyclobuten-1-yl)benzene
CID 10616539
CID 24862664
CID 24862664
(1Z)-1,2-diphenylcyclododecene
CID 5378897

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene (CID 71517029) is (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene is BrC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is SRIJWVHBNPPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene?
(2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 373.29 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 71517029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).