2-bromo-5-phenylbenzo[b]phosphindole 5-oxide

C18H12BrOP — CID 134327267

IUPAC2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C18H12BrOP/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)21(18,20)14-6-2-1-3-7-14/h1-12H
InChIKeyYUTDLBSALYXHBZ-UHFFFAOYSA-N
MW355.17 g/mol
LogP4.07
Rot. Bonds1

About 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide

2-bromo-5-phenylbenzo[b]phosphindole 5-oxide (PubChem CID 134327267) has the molecular formula C18H12BrOP and a molecular weight of 355.17 g/mol. Its IUPAC name is 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
PubChem CID134327267
Molecular FormulaC18H12BrOP
Molecular Weight355.17 g/mol
Exact Mass353.98
IUPAC Name2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C18H12BrOP/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)21(18,20)14-6-2-1-3-7-14/h1-12H
InChIKeyYUTDLBSALYXHBZ-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 54.07
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 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide?
The IUPAC name of 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide (CID 134327267) is 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide.
What is the SMILES notation for 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide?
The canonical SMILES for 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide is O=P1(c2ccccc2)c2ccccc2-c2cc(Br)ccc21.
What is the InChIKey of 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide?
The InChIKey is YUTDLBSALYXHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrOP/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)21(18,20)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide?
2-bromo-5-phenylbenzo[b]phosphindole 5-oxide has a molecular weight of 355.17 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenylbenzo[b]phosphindole 5-oxide is sourced from PubChem (CID 134327267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).