2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene

C33H20Cl2F3O3PS — CID 139672546

IUPAC2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene
SMILESO=P(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2ccccc2c1-c1c(S(=O)(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C33H20Cl2F3O3PS/c34-23-11-15-25(16-12-23)42(39,26-17-13-24(35)14-18-26)29-19-9-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)10-20-30(32)43(40,41)33(36,37)38/h1-20H
InChIKeyBEAYASDMAWYWEH-UHFFFAOYSA-N
MW655.46 g/mol
LogP8.90
Rot. Bonds5

About 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene

2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene (PubChem CID 139672546) has the molecular formula C33H20Cl2F3O3PS and a molecular weight of 655.46 g/mol. Its IUPAC name is 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene
PubChem CID139672546
Molecular FormulaC33H20Cl2F3O3PS
Molecular Weight655.46 g/mol
Exact Mass654.02
IUPAC Name2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene
SMILESO=P(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2ccccc2c1-c1c(S(=O)(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C33H20Cl2F3O3PS/c34-23-11-15-25(16-12-23)42(39,26-17-13-24(35)14-18-26)29-19-9-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)10-20-30(32)43(40,41)33(36,37)38/h1-20H
InChIKeyBEAYASDMAWYWEH-UHFFFAOYSA-N
XLogP8.90
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.46
LogP ≤ 58.90
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-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene (CID 139672546) is 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene is O=P(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2ccccc2c1-c1c(S(=O)(=O)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene?
The InChIKey is BEAYASDMAWYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20Cl2F3O3PS/c34-23-11-15-25(16-12-23)42(39,26-17-13-24(35)14-18-26)29-19-9-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)10-20-30(32)43(40,41)33(36,37)38/h1-20H.
What are the key properties of 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene?
2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene has a molecular weight of 655.46 g/mol, XLogP of 8.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-chlorophenyl)phosphoryl-1-[2-(trifluoromethylsulfonyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 139672546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).