[4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane

C34H22F4NPS — CID 132574433

IUPAC[4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESFc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(P(=S)(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C34H22F4NPS/c35-26-20-16-23(17-21-26)30-22-31(24-14-18-25(19-15-24)34(36,37)38)39-33-29(30)12-7-13-32(33)40(41,27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-22H
InChIKeyZGCCLJAAXAZUBT-UHFFFAOYSA-N
MW583.59 g/mol
LogP8.48
Rot. Bonds5

About [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane

[4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 132574433) has the molecular formula C34H22F4NPS and a molecular weight of 583.59 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID132574433
Molecular FormulaC34H22F4NPS
Molecular Weight583.59 g/mol
Exact Mass583.11
IUPAC Name[4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESFc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(P(=S)(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C34H22F4NPS/c35-26-20-16-23(17-21-26)30-22-31(24-14-18-25(19-15-24)34(36,37)38)39-33-29(30)12-7-13-32(33)40(41,27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-22H
InChIKeyZGCCLJAAXAZUBT-UHFFFAOYSA-N
XLogP8.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.59
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane (CID 132574433) is [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane is Fc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(P(=S)(c4ccccc4)c4ccccc4)cccc23)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZGCCLJAAXAZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F4NPS/c35-26-20-16-23(17-21-26)30-22-31(24-14-18-25(19-15-24)34(36,37)38)39-33-29(30)12-7-13-32(33)40(41,27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-22H.
What are the key properties of [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane?
[4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 583.59 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 132574433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).