2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene

C32H19F6OP — CID 88865311

IUPAC2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene
SMILESO=P(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C32H19F6OP/c33-31(34,35)20-9-13-22(14-10-20)40(39,23-15-11-21(12-16-23)32(36,37)38)24-17-18-29-27-7-2-1-5-25(27)26-6-3-4-8-28(26)30(29)19-24/h1-19H
InChIKeyGWCPLAUNRAOCEV-UHFFFAOYSA-N
MW564.47 g/mol
LogP8.82
Rot. Bonds3

About 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene

2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene (PubChem CID 88865311) has the molecular formula C32H19F6OP and a molecular weight of 564.47 g/mol. Its IUPAC name is 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene.

Molecular Properties

Compound Name2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene
PubChem CID88865311
Molecular FormulaC32H19F6OP
Molecular Weight564.47 g/mol
Exact Mass564.11
IUPAC Name2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene
SMILESO=P(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C32H19F6OP/c33-31(34,35)20-9-13-22(14-10-20)40(39,23-15-11-21(12-16-23)32(36,37)38)24-17-18-29-27-7-2-1-5-25(27)26-6-3-4-8-28(26)30(29)19-24/h1-19H
InChIKeyGWCPLAUNRAOCEV-UHFFFAOYSA-N
XLogP8.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.47
LogP ≤ 58.82
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 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene?
The IUPAC name of 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene (CID 88865311) is 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene.
What is the SMILES notation for 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene?
The canonical SMILES for 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene is O=P(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene?
The InChIKey is GWCPLAUNRAOCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F6OP/c33-31(34,35)20-9-13-22(14-10-20)40(39,23-15-11-21(12-16-23)32(36,37)38)24-17-18-29-27-7-2-1-5-25(27)26-6-3-4-8-28(26)30(29)19-24/h1-19H.
What are the key properties of 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene?
2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene has a molecular weight of 564.47 g/mol, XLogP of 8.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene is sourced from PubChem (CID 88865311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).