9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene

C26H9F10OP — CID 88865047

IUPAC9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene
SMILESO=P(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H9F10OP/c27-15-17(29)21(33)25(22(34)18(15)30)38(37,26-23(35)19(31)16(28)20(32)24(26)36)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyRSAAWUXOPSSONQ-UHFFFAOYSA-N
MW558.31 g/mol
LogP7.02
Rot. Bonds3

About 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene

9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene (PubChem CID 88865047) has the molecular formula C26H9F10OP and a molecular weight of 558.31 g/mol. Its IUPAC name is 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene.

Molecular Properties

Compound Name9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene
PubChem CID88865047
Molecular FormulaC26H9F10OP
Molecular Weight558.31 g/mol
Exact Mass558.02
IUPAC Name9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene
SMILESO=P(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H9F10OP/c27-15-17(29)21(33)25(22(34)18(15)30)38(37,26-23(35)19(31)16(28)20(32)24(26)36)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyRSAAWUXOPSSONQ-UHFFFAOYSA-N
XLogP7.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.31
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene?
The IUPAC name of 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene (CID 88865047) is 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene.
What is the SMILES notation for 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene?
The canonical SMILES for 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene is O=P(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene?
The InChIKey is RSAAWUXOPSSONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H9F10OP/c27-15-17(29)21(33)25(22(34)18(15)30)38(37,26-23(35)19(31)16(28)20(32)24(26)36)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H.
What are the key properties of 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene?
9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene has a molecular weight of 558.31 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene is sourced from PubChem (CID 88865047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).