2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran

C40H25F9O3P2 — CID 88865185

IUPAC2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran
SMILESCc1ccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2ccc3oc4ccc(P(=O)(c5ccc(C(F)(F)F)cc5)c5ccc(C(F)(F)F)cc5)cc4c3c2)cc1
InChIInChI=1S/C40H25F9O3P2/c1-24-2-10-28(11-3-24)53(50,29-12-4-25(5-13-29)38(41,42)43)32-18-20-36-34(22-32)35-23-33(19-21-37(35)52-36)54(51,30-14-6-26(7-15-30)39(44,45)46)31-16-8-27(9-17-31)40(47,48)49/h2-23H,1H3
InChIKeyXUDQZZCQHUIVNT-UHFFFAOYSA-N
MW786.57 g/mol
LogP10.23
Rot. Bonds6

About 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran

2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran (PubChem CID 88865185) has the molecular formula C40H25F9O3P2 and a molecular weight of 786.57 g/mol. Its IUPAC name is 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran.

Molecular Properties

Compound Name2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran
PubChem CID88865185
Molecular FormulaC40H25F9O3P2
Molecular Weight786.57 g/mol
Exact Mass786.11
IUPAC Name2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran
SMILESCc1ccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2ccc3oc4ccc(P(=O)(c5ccc(C(F)(F)F)cc5)c5ccc(C(F)(F)F)cc5)cc4c3c2)cc1
InChIInChI=1S/C40H25F9O3P2/c1-24-2-10-28(11-3-24)53(50,29-12-4-25(5-13-29)38(41,42)43)32-18-20-36-34(22-32)35-23-33(19-21-37(35)52-36)54(51,30-14-6-26(7-15-30)39(44,45)46)31-16-8-27(9-17-31)40(47,48)49/h2-23H,1H3
InChIKeyXUDQZZCQHUIVNT-UHFFFAOYSA-N
XLogP10.23
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.57
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran?
The IUPAC name of 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran (CID 88865185) is 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran.
What is the SMILES notation for 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran?
The canonical SMILES for 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran is Cc1ccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2ccc3oc4ccc(P(=O)(c5ccc(C(F)(F)F)cc5)c5ccc(C(F)(F)F)cc5)cc4c3c2)cc1.
What is the InChIKey of 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran?
The InChIKey is XUDQZZCQHUIVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F9O3P2/c1-24-2-10-28(11-3-24)53(50,29-12-4-25(5-13-29)38(41,42)43)32-18-20-36-34(22-32)35-23-33(19-21-37(35)52-36)54(51,30-14-6-26(7-15-30)39(44,45)46)31-16-8-27(9-17-31)40(47,48)49/h2-23H,1H3.
What are the key properties of 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran?
2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran has a molecular weight of 786.57 g/mol, XLogP of 10.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran is sourced from PubChem (CID 88865185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).