9-bromo-10-diphenylphosphorylanthracene

C26H18BrOP — CID 142735976

IUPAC9-bromo-10-diphenylphosphorylanthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C26H18BrOP/c27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)29(28,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H
InChIKeySKOWRFSAKJNYJP-UHFFFAOYSA-N
MW457.31 g/mol
LogP6.39
Rot. Bonds3

About 9-bromo-10-diphenylphosphorylanthracene

9-bromo-10-diphenylphosphorylanthracene (PubChem CID 142735976) has the molecular formula C26H18BrOP and a molecular weight of 457.31 g/mol. Its IUPAC name is 9-bromo-10-diphenylphosphorylanthracene.

Molecular Properties

Compound Name9-bromo-10-diphenylphosphorylanthracene
PubChem CID142735976
Molecular FormulaC26H18BrOP
Molecular Weight457.31 g/mol
Exact Mass456.03
IUPAC Name9-bromo-10-diphenylphosphorylanthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C26H18BrOP/c27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)29(28,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H
InChIKeySKOWRFSAKJNYJP-UHFFFAOYSA-N
XLogP6.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.31
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-diphenylphosphorylanthracene?
The IUPAC name of 9-bromo-10-diphenylphosphorylanthracene (CID 142735976) is 9-bromo-10-diphenylphosphorylanthracene.
What is the SMILES notation for 9-bromo-10-diphenylphosphorylanthracene?
The canonical SMILES for 9-bromo-10-diphenylphosphorylanthracene is O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 9-bromo-10-diphenylphosphorylanthracene?
The InChIKey is SKOWRFSAKJNYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrOP/c27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)29(28,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 9-bromo-10-diphenylphosphorylanthracene?
9-bromo-10-diphenylphosphorylanthracene has a molecular weight of 457.31 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-diphenylphosphorylanthracene is sourced from PubChem (CID 142735976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).