2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone

C36H28BrOP — CID 134976915

IUPAC2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone
SMILESO=C(c1ccc2ccccc2c1)C(c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28BrOP/c37-39(32-19-7-2-8-20-32,33-21-9-3-10-22-33,34-23-11-4-12-24-34)36(29-16-5-1-6-17-29)35(38)31-26-25-28-15-13-14-18-30(28)27-31/h1-27,36H
InChIKeyIZZFXPDFGDLDQT-UHFFFAOYSA-N
MW587.50 g/mol
LogP8.60
Rot. Bonds7

About 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone

2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone (PubChem CID 134976915) has the molecular formula C36H28BrOP and a molecular weight of 587.50 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone
PubChem CID134976915
Molecular FormulaC36H28BrOP
Molecular Weight587.50 g/mol
Exact Mass586.11
IUPAC Name2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone
SMILESO=C(c1ccc2ccccc2c1)C(c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28BrOP/c37-39(32-19-7-2-8-20-32,33-21-9-3-10-22-33,34-23-11-4-12-24-34)36(29-16-5-1-6-17-29)35(38)31-26-25-28-15-13-14-18-30(28)27-31/h1-27,36H
InChIKeyIZZFXPDFGDLDQT-UHFFFAOYSA-N
XLogP8.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.50
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 102318712
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
naphthalene-2-carboxylic acid
CID 175967775
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
CID 22282349
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone?
The IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone (CID 134976915) is 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone is O=C(c1ccc2ccccc2c1)C(c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone?
The InChIKey is IZZFXPDFGDLDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28BrOP/c37-39(32-19-7-2-8-20-32,33-21-9-3-10-22-33,34-23-11-4-12-24-34)36(29-16-5-1-6-17-29)35(38)31-26-25-28-15-13-14-18-30(28)27-31/h1-27,36H.
What are the key properties of 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone?
2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone has a molecular weight of 587.50 g/mol, XLogP of 8.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-λ5-phosphanyl]-1-naphthalen-2-yl-2-phenylethanone is sourced from PubChem (CID 134976915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).