1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide

C31H30F6N2O4P2S2+2 — CID 146360674

IUPAC1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(N1[P+](c2ccccc2)(c2ccccc2)CC[P+]1(c1ccccc1)c1ccccc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C31H30F6N2O4P2S2/c1-29(2,39(46(40,41)30(32,33)34)47(42,43)31(35,36)37)38-44(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-45(38,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3/q+2
InChIKeyWRILWGDEMNVWPW-UHFFFAOYSA-N
MW734.66 g/mol
LogP6.21
Rot. Bonds8

About 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide

1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 146360674) has the molecular formula C31H30F6N2O4P2S2+2 and a molecular weight of 734.66 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID146360674
Molecular FormulaC31H30F6N2O4P2S2+2
Molecular Weight734.66 g/mol
Exact Mass734.10
IUPAC Name1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(N1[P+](c2ccccc2)(c2ccccc2)CC[P+]1(c1ccccc1)c1ccccc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C31H30F6N2O4P2S2/c1-29(2,39(46(40,41)30(32,33)34)47(42,43)31(35,36)37)38-44(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-45(38,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3/q+2
InChIKeyWRILWGDEMNVWPW-UHFFFAOYSA-N
XLogP6.21
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.66
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 146360674) is 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide is CC(C)(N1[P+](c2ccccc2)(c2ccccc2)CC[P+]1(c1ccccc1)c1ccccc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is WRILWGDEMNVWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F6N2O4P2S2/c1-29(2,39(46(40,41)30(32,33)34)47(42,43)31(35,36)37)38-44(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-45(38,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3/q+2.
What are the key properties of 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide?
1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 734.66 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(2,2,5,5-tetraphenyl-1,2,5-azadiphospholidine-2,5-diium-1-yl)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 146360674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).