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

C23H18Br2 — CID 71581366

IUPAC1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene
SMILESBrc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C23H18Br2/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(25)13-9-18/h1-14,22-23H,15H2/t22-,23-/m0/s1
InChIKeyFVAYUKOCXSYMBJ-GOTSBHOMSA-N
MW454.21 g/mol
LogP7.57
Rot. Bonds3

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

1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene (PubChem CID 71581366) has the molecular formula C23H18Br2 and a molecular weight of 454.21 g/mol. Its IUPAC name is 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene
PubChem CID71581366
Molecular FormulaC23H18Br2
Molecular Weight454.21 g/mol
Exact Mass451.98
IUPAC Name1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene
SMILESBrc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C23H18Br2/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(25)13-9-18/h1-14,22-23H,15H2/t22-,23-/m0/s1
InChIKeyFVAYUKOCXSYMBJ-GOTSBHOMSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.21
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene?
The IUPAC name of 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene (CID 71581366) is 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene?
The canonical SMILES for 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene is Brc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene?
The InChIKey is FVAYUKOCXSYMBJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H18Br2/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(25)13-9-18/h1-14,22-23H,15H2/t22-,23-/m0/s1.
What are the key properties of 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene?
1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene has a molecular weight of 454.21 g/mol, XLogP of 7.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1R,2R)-4-(4-bromophenyl)-2-phenylcyclopent-3-en-1-yl]benzene is sourced from PubChem (CID 71581366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).