2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole

C34H25F3NOP — CID 166447225

IUPAC2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole
SMILESCn1c(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C34H25F3NOP/c1-38-30-18-10-8-16-28(30)32(24-20-22-25(23-21-24)34(35,36)37)33(38)29-17-9-11-19-31(29)40(39,26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-23H,1H3
InChIKeyXQUHJWZYYHGVIM-UHFFFAOYSA-N
MW551.55 g/mol
LogP8.17
Rot. Bonds5

About 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole

2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole (PubChem CID 166447225) has the molecular formula C34H25F3NOP and a molecular weight of 551.55 g/mol. Its IUPAC name is 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole
PubChem CID166447225
Molecular FormulaC34H25F3NOP
Molecular Weight551.55 g/mol
Exact Mass551.16
IUPAC Name2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole
SMILESCn1c(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C34H25F3NOP/c1-38-30-18-10-8-16-28(30)32(24-20-22-25(23-21-24)34(35,36)37)33(38)29-17-9-11-19-31(29)40(39,26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-23H,1H3
InChIKeyXQUHJWZYYHGVIM-UHFFFAOYSA-N
XLogP8.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.55
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-methyl-2-[4-(trifluoromethyl)phenyl]indole
CID 45113670
1-methyl-2,3-diphenylindole
CID 11426096
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 135130807
2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline
CID 102369214
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole
CID 102421670
9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121447557
2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one
CID 132820896
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
1-diphenylphosphoryl-2-(trifluoromethyl)benzene
CID 5232149
1-methyl-3-phenyl-5-(trifluoromethyl)indole-2-carbonyl chloride chloride
CID 157145690
9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole
CID 58251526

Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole (CID 166447225) is 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole is Cn1c(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is XQUHJWZYYHGVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F3NOP/c1-38-30-18-10-8-16-28(30)32(24-20-22-25(23-21-24)34(35,36)37)33(38)29-17-9-11-19-31(29)40(39,26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-23H,1H3.
What are the key properties of 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole?
2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 551.55 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 166447225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).