5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide

C17H12AlCl4N2PS — CID 134912648

IUPAC5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
SMILESCl[Al-](Cl)(Cl)Cl.c1ccc(-[n+]2nc(-c3ccc4ccccc4c3)sp2)cc1
InChIInChI=1S/C17H12N2PS.Al.4ClH/c1-2-8-16(9-3-1)19-18-17(21-20-19)15-11-10-13-6-4-5-7-14(13)12-15;;;;;/h1-12H;;4*1H/q+1;+3;;;;/p-4
InChIKeyRHLDYUCGASGIEZ-UHFFFAOYSA-J
MW476.13 g/mol
LogP7.20
Rot. Bonds2

About 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide

5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide (PubChem CID 134912648) has the molecular formula C17H12AlCl4N2PS and a molecular weight of 476.13 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
PubChem CID134912648
Molecular FormulaC17H12AlCl4N2PS
Molecular Weight476.13 g/mol
Exact Mass473.90
IUPAC Name5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
SMILESCl[Al-](Cl)(Cl)Cl.c1ccc(-[n+]2nc(-c3ccc4ccccc4c3)sp2)cc1
InChIInChI=1S/C17H12N2PS.Al.4ClH/c1-2-8-16(9-3-1)19-18-17(21-20-19)15-11-10-13-6-4-5-7-14(13)12-15;;;;;/h1-12H;;4*1H/q+1;+3;;;;/p-4
InChIKeyRHLDYUCGASGIEZ-UHFFFAOYSA-J
XLogP7.20
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.13
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 134867920
3,5-Diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912483
2-Chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 15761692
5-Naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 100943723
5-Naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 134912649

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The IUPAC name of 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide (CID 134912648) is 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide.
What is the SMILES notation for 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The canonical SMILES for 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide is Cl[Al-](Cl)(Cl)Cl.c1ccc(-[n+]2nc(-c3ccc4ccccc4c3)sp2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The InChIKey is RHLDYUCGASGIEZ-UHFFFAOYSA-J. The full InChI is InChI=1S/C17H12N2PS.Al.4ClH/c1-2-8-16(9-3-1)19-18-17(21-20-19)15-11-10-13-6-4-5-7-14(13)12-15;;;;;/h1-12H;;4*1H/q+1;+3;;;;/p-4.
What are the key properties of 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide has a molecular weight of 476.13 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide is sourced from PubChem (CID 134912648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).