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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Related Compounds

2-bis(4-methylphenyl)phosphoryl-7-bis[4-(trifluoromethyl)phenyl]phosphorylphenanthrene
CID 88865175
2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran
CID 88865185
3-diphenylphosphorylphenanthrene
CID 170944174
9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138749634
6-bis[4-(trifluoromethyl)phenyl]phosphoryl-2,8-dimethylphenanthridine
CID 134850227
9-bis[2,5-bis(trifluoromethyl)phenyl]phosphorylphenanthrene
CID 88865288
5-bis(4-phenylphenyl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742058
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole
CID 175356190
2-bis[3,5-bis(trifluoromethyl)phenyl]phosphoryl-9,9'-spirobi[fluorene]
CID 88865297
3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
CID 71733892
3-diphenylphosphorylhexahelicene
CID 10896698

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).