1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene

C18H13Br2OP — CID 135193040

IUPAC1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene
SMILESO=P(c1ccccc1)(c1cccc(Br)c1)c1ccccc1Br
InChIInChI=1S/C18H13Br2OP/c19-14-7-6-10-16(13-14)22(21,15-8-2-1-3-9-15)18-12-5-4-11-17(18)20/h1-13H
InChIKeyGNDDWEKIZIAXHQ-UHFFFAOYSA-N
MW436.08 g/mol
LogP4.85
Rot. Bonds3

About 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene

1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene (PubChem CID 135193040) has the molecular formula C18H13Br2OP and a molecular weight of 436.08 g/mol. Its IUPAC name is 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene
PubChem CID135193040
Molecular FormulaC18H13Br2OP
Molecular Weight436.08 g/mol
Exact Mass433.91
IUPAC Name1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene
SMILESO=P(c1ccccc1)(c1cccc(Br)c1)c1ccccc1Br
InChIInChI=1S/C18H13Br2OP/c19-14-7-6-10-16(13-14)22(21,15-8-2-1-3-9-15)18-12-5-4-11-17(18)20/h1-13H
InChIKeyGNDDWEKIZIAXHQ-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.08
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene?
The IUPAC name of 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene (CID 135193040) is 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene.
What is the SMILES notation for 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene?
The canonical SMILES for 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene is O=P(c1ccccc1)(c1cccc(Br)c1)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene?
The InChIKey is GNDDWEKIZIAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2OP/c19-14-7-6-10-16(13-14)22(21,15-8-2-1-3-9-15)18-12-5-4-11-17(18)20/h1-13H.
What are the key properties of 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene?
1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene has a molecular weight of 436.08 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene is sourced from PubChem (CID 135193040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).