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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Related Compounds

2-bis(4-methylphenyl)phosphoryl-7-bis[4-(trifluoromethyl)phenyl]phosphorylphenanthrene
CID 88865175
2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene
CID 88865311
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
6-bis[4-(trifluoromethyl)phenyl]phosphoryl-2,8-dimethylphenanthridine
CID 134850227
2,7-bis[2-(4-methylphenyl)propan-2-yl]xanthen-9-one
CID 20631276
[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone
CID 164997994
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
2-[25-(dicyanomethylidene)-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]propanedinitrile
CID 88884319
2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767
9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118438937
8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 143777651

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).