1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole

C19H16P2S2 — CID 102113163

IUPAC1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole
SMILESS=P1(c2ccccc2)CP(=S)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16P2S2/c22-20(16-9-3-1-4-10-16)15-21(23,17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h1-14H,15H2
InChIKeyZXLIIQFITYPIHX-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.52
Rot. Bonds2

About 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole

1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole (PubChem CID 102113163) has the molecular formula C19H16P2S2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole.

Molecular Properties

Compound Name1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole
PubChem CID102113163
Molecular FormulaC19H16P2S2
Molecular Weight370.42 g/mol
Exact Mass370.02
IUPAC Name1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole
SMILESS=P1(c2ccccc2)CP(=S)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16P2S2/c22-20(16-9-3-1-4-10-16)15-21(23,17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h1-14H,15H2
InChIKeyZXLIIQFITYPIHX-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane
CID 132569703
5-ethyl-10-phenyl-10-sulfanylidenephenophosphazinine
CID 12547171
1,1,2-triphenyl-3H-phosphindole
CID 135051318
(1R)-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 139092919
5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 10105167
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
2,2,6,6-tetramethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one
CID 4657476
(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane
CID 69259732
1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene
CID 23416550
1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene
CID 177449424
2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
3-phenyl-1,2,4,5-tetrahydro-1,5,3λ5-benzodiazaphosphepine 3-oxide
CID 3663884

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole?
The IUPAC name of 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole (CID 102113163) is 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole.
What is the SMILES notation for 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole?
The canonical SMILES for 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole is S=P1(c2ccccc2)CP(=S)(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole?
The InChIKey is ZXLIIQFITYPIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16P2S2/c22-20(16-9-3-1-4-10-16)15-21(23,17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h1-14H,15H2.
What are the key properties of 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole?
1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole has a molecular weight of 370.42 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole is sourced from PubChem (CID 102113163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).