1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene

C19H14BrClSe — CID 177410558

IUPAC1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene
SMILESCl/C(=C(/[Se]c1ccccc1)c1ccc(Br)cc1)C1C=CC=C1
InChIInChI=1S/C19H14BrClSe/c20-16-12-10-15(11-13-16)19(18(21)14-6-4-5-7-14)22-17-8-2-1-3-9-17/h1-14H/b19-18+
InChIKeyQIUTTWBQEBGUPB-VHEBQXMUSA-N
MW436.64 g/mol
LogP5.13
Rot. Bonds4

About 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene

1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene (PubChem CID 177410558) has the molecular formula C19H14BrClSe and a molecular weight of 436.64 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene
PubChem CID177410558
Molecular FormulaC19H14BrClSe
Molecular Weight436.64 g/mol
Exact Mass435.91
IUPAC Name1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene
SMILESCl/C(=C(/[Se]c1ccccc1)c1ccc(Br)cc1)C1C=CC=C1
InChIInChI=1S/C19H14BrClSe/c20-16-12-10-15(11-13-16)19(18(21)14-6-4-5-7-14)22-17-8-2-1-3-9-17/h1-14H/b19-18+
InChIKeyQIUTTWBQEBGUPB-VHEBQXMUSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene
CID 177449850
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 5360801
bromo(413C)cyclohexatriene
CID 66995401
bromo(113C)cyclohexatriene
CID 11094888
(4-chlorophenyl)-phenylselanylmethanethione
CID 14249100
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene (CID 177410558) is 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene is Cl/C(=C(/[Se]c1ccccc1)c1ccc(Br)cc1)C1C=CC=C1.
What is the InChIKey of 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene?
The InChIKey is QIUTTWBQEBGUPB-VHEBQXMUSA-N. The full InChI is InChI=1S/C19H14BrClSe/c20-16-12-10-15(11-13-16)19(18(21)14-6-4-5-7-14)22-17-8-2-1-3-9-17/h1-14H/b19-18+.
What are the key properties of 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene?
1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene has a molecular weight of 436.64 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene is sourced from PubChem (CID 177410558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).