1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene

C23H19Br — CID 71581346

IUPAC1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene
SMILESBrc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H19Br/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)23(16-20)19-9-5-2-6-10-19/h1-15,22-23H,16H2/t22-,23-/m0/s1
InChIKeyAXXWNQXZLNNMTJ-GOTSBHOMSA-N
MW375.31 g/mol
LogP6.80
Rot. Bonds3

About 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene

1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene (PubChem CID 71581346) has the molecular formula C23H19Br and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene
PubChem CID71581346
Molecular FormulaC23H19Br
Molecular Weight375.31 g/mol
Exact Mass374.07
IUPAC Name1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene
SMILESBrc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H19Br/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)23(16-20)19-9-5-2-6-10-19/h1-15,22-23H,16H2/t22-,23-/m0/s1
InChIKeyAXXWNQXZLNNMTJ-GOTSBHOMSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene?
The IUPAC name of 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene (CID 71581346) is 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene?
The canonical SMILES for 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene is Brc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene?
The InChIKey is AXXWNQXZLNNMTJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H19Br/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)23(16-20)19-9-5-2-6-10-19/h1-15,22-23H,16H2/t22-,23-/m0/s1.
What are the key properties of 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene?
1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene has a molecular weight of 375.31 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]benzene is sourced from PubChem (CID 71581346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).