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

C17H12N2PS+ — CID 100943723

IUPAC5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
SMILESc1ccc(-[n+]2nc(-c3cccc4ccccc34)sp2)cc1
InChIInChI=1S/C17H12N2PS/c1-2-9-14(10-3-1)19-18-17(21-20-19)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H/q+1
InChIKeyCHPCLAHCXLVATR-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.82
Rot. Bonds2

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

5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium (PubChem CID 100943723) has the molecular formula C17H12N2PS+ and a molecular weight of 307.34 g/mol. Its IUPAC name is 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium.

Molecular Properties

Compound Name5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
PubChem CID100943723
Molecular FormulaC17H12N2PS+
Molecular Weight307.34 g/mol
Exact Mass307.05
IUPAC Name5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
SMILESc1ccc(-[n+]2nc(-c3cccc4ccccc34)sp2)cc1
InChIInChI=1S/C17H12N2PS/c1-2-9-14(10-3-1)19-18-17(21-20-19)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H/q+1
InChIKeyCHPCLAHCXLVATR-UHFFFAOYSA-N
XLogP4.82
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole
CID 102034106
2-Chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 134867920
5-Naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912648
2,4,5-Triphenyldiazaphosphole
CID 11758821
2-Chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 15761692
N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine
CID 15761701
5-Benzyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 100943718
3,5-Diphenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 100943719
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-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The IUPAC name of 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium (CID 100943723) is 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium.
What is the SMILES notation for 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The canonical SMILES for 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium is c1ccc(-[n+]2nc(-c3cccc4ccccc34)sp2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The InChIKey is CHPCLAHCXLVATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2PS/c1-2-9-14(10-3-1)19-18-17(21-20-19)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H/q+1.
What are the key properties of 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium has a molecular weight of 307.34 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium is sourced from PubChem (CID 100943723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).