9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene

C26H13F6OP — CID 88865063

IUPAC9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene
SMILESO=P(c1c(F)cc(F)cc1F)(c1c(F)cc(F)cc1F)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H13F6OP/c27-15-10-20(29)25(21(30)11-15)34(33,26-22(31)12-16(28)13-23(26)32)24-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)24/h1-13H
InChIKeyNJZBWPIOHZOKEA-UHFFFAOYSA-N
MW486.35 g/mol
LogP6.47
Rot. Bonds3

About 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene

9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene (PubChem CID 88865063) has the molecular formula C26H13F6OP and a molecular weight of 486.35 g/mol. Its IUPAC name is 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene.

Molecular Properties

Compound Name9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene
PubChem CID88865063
Molecular FormulaC26H13F6OP
Molecular Weight486.35 g/mol
Exact Mass486.06
IUPAC Name9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene
SMILESO=P(c1c(F)cc(F)cc1F)(c1c(F)cc(F)cc1F)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H13F6OP/c27-15-10-20(29)25(21(30)11-15)34(33,26-22(31)12-16(28)13-23(26)32)24-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)24/h1-13H
InChIKeyNJZBWPIOHZOKEA-UHFFFAOYSA-N
XLogP6.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.35
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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(2,4,6-trifluorophenyl)phosphorylphenanthrene?
The IUPAC name of 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene (CID 88865063) is 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene.
What is the SMILES notation for 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene?
The canonical SMILES for 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene is O=P(c1c(F)cc(F)cc1F)(c1c(F)cc(F)cc1F)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene?
The InChIKey is NJZBWPIOHZOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13F6OP/c27-15-10-20(29)25(21(30)11-15)34(33,26-22(31)12-16(28)13-23(26)32)24-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)24/h1-13H.
What are the key properties of 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene?
9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene has a molecular weight of 486.35 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene is sourced from PubChem (CID 88865063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).