9-bis(2-fluorophenyl)phosphorylphenanthrene

C26H17F2OP — CID 88865071

IUPAC9-bis(2-fluorophenyl)phosphorylphenanthrene
SMILESO=P(c1ccccc1F)(c1ccccc1F)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H17F2OP/c27-22-13-5-7-15-24(22)30(29,25-16-8-6-14-23(25)28)26-17-18-9-1-2-10-19(18)20-11-3-4-12-21(20)26/h1-17H
InChIKeyYWDRPDCMTWOHKH-UHFFFAOYSA-N
MW414.39 g/mol
LogP5.91
Rot. Bonds3

About 9-bis(2-fluorophenyl)phosphorylphenanthrene

9-bis(2-fluorophenyl)phosphorylphenanthrene (PubChem CID 88865071) has the molecular formula C26H17F2OP and a molecular weight of 414.39 g/mol. Its IUPAC name is 9-bis(2-fluorophenyl)phosphorylphenanthrene.

Molecular Properties

Compound Name9-bis(2-fluorophenyl)phosphorylphenanthrene
PubChem CID88865071
Molecular FormulaC26H17F2OP
Molecular Weight414.39 g/mol
Exact Mass414.10
IUPAC Name9-bis(2-fluorophenyl)phosphorylphenanthrene
SMILESO=P(c1ccccc1F)(c1ccccc1F)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H17F2OP/c27-22-13-5-7-15-24(22)30(29,25-16-8-6-14-23(25)28)26-17-18-9-1-2-10-19(18)20-11-3-4-12-21(20)26/h1-17H
InChIKeyYWDRPDCMTWOHKH-UHFFFAOYSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.39
LogP ≤ 55.91
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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Related Compounds

9-[(2,4-difluorophenyl)-phenanthren-9-ylphosphoryl]phenanthrene
CID 88865040
9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene
CID 88865063
9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene
CID 88865047
9-bis[2,5-bis(trifluoromethyl)phenyl]phosphorylphenanthrene
CID 88865288
1-[(3,5-difluorophenyl)-phenanthren-1-ylphosphoryl]phenanthrene
CID 137366974
9-dimethoxyphosphorylphenanthrene
CID 12558114
2,3,10-trifluorophenanthrene
CID 123296035
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
CID 87159646
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
1-bis(2,3-difluorophenyl)phosphorylpyrene
CID 88865016
9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene
CID 88535839

Frequently Asked Questions

What is the IUPAC name of 9-bis(2-fluorophenyl)phosphorylphenanthrene?
The IUPAC name of 9-bis(2-fluorophenyl)phosphorylphenanthrene (CID 88865071) is 9-bis(2-fluorophenyl)phosphorylphenanthrene.
What is the SMILES notation for 9-bis(2-fluorophenyl)phosphorylphenanthrene?
The canonical SMILES for 9-bis(2-fluorophenyl)phosphorylphenanthrene is O=P(c1ccccc1F)(c1ccccc1F)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-bis(2-fluorophenyl)phosphorylphenanthrene?
The InChIKey is YWDRPDCMTWOHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2OP/c27-22-13-5-7-15-24(22)30(29,25-16-8-6-14-23(25)28)26-17-18-9-1-2-10-19(18)20-11-3-4-12-21(20)26/h1-17H.
What are the key properties of 9-bis(2-fluorophenyl)phosphorylphenanthrene?
9-bis(2-fluorophenyl)phosphorylphenanthrene has a molecular weight of 414.39 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bis(2-fluorophenyl)phosphorylphenanthrene is sourced from PubChem (CID 88865071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).