5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine

C20H18NPS — CID 12547171

IUPAC5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine
SMILESCCN1c2ccccc2P(=S)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H18NPS/c1-2-21-17-12-6-8-14-19(17)22(23,16-10-4-3-5-11-16)20-15-9-7-13-18(20)21/h3-15H,2H2,1H3
InChIKeyBWZIEEUYZCCJGB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.91
Rot. Bonds2

About 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine

5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine (PubChem CID 12547171) has the molecular formula C20H18NPS and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine.

Molecular Properties

Compound Name5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine
PubChem CID12547171
Molecular FormulaC20H18NPS
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine
SMILESCCN1c2ccccc2P(=S)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H18NPS/c1-2-21-17-12-6-8-14-19(17)22(23,16-10-4-3-5-11-16)20-15-9-7-13-18(20)21/h3-15H,2H2,1H3
InChIKeyBWZIEEUYZCCJGB-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,11,17-triethyl-8,14,22-triphenyl-8,14,22-tris(sulfanylidene)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 139429093
8,14,22-triphenyl-5,11,17-tripropyl-8,14,22-tris(sulfanylidene)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 153424520
4,11,18-trimethyl-8,14-diphenyl-8,14-bis(sulfanylidene)-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 139429074
4,8,14,18-tetraphenyl-8,14-bis(sulfanylidene)-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 139428986
1,3-diethyl-2-methylidenebenzimidazole
CID 13297425
10-ethylspiro[acridine-9,9'-fluorene]
CID 118231831
1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole
CID 102113163
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
1-ethyl-3-methyl-2-methylidenequinoxaline
CID 118214538
2-[2-[2-(1,3-diphenyl-2-sulfanylidene-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]phenyl]-1,3-diphenyl-2-sulfanylidene-1,3,2λ5-benzodiazaphosphole
CID 58399935
1-ethyl-4-(2-nitrosophenyl)piperazine
CID 87540544
(10-ethylphenothiazin-3-yl)methyl-triphenylphosphanium bromide
CID 127262669

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine?
The IUPAC name of 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine (CID 12547171) is 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine.
What is the SMILES notation for 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine?
The canonical SMILES for 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine is CCN1c2ccccc2P(=S)(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine?
The InChIKey is BWZIEEUYZCCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NPS/c1-2-21-17-12-6-8-14-19(17)22(23,16-10-4-3-5-11-16)20-15-9-7-13-18(20)21/h3-15H,2H2,1H3.
What are the key properties of 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine?
5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine has a molecular weight of 335.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine is sourced from PubChem (CID 12547171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).