1,1-diphenylhexoxy-bis(sulfanyl)phosphane

C18H23OPS2 — CID 54190731

IUPAC1,1-diphenylhexoxy-bis(sulfanyl)phosphane
SMILESCCCCCC(OP(S)S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23OPS2/c1-2-3-10-15-18(19-20(21)22,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14,21-22H,2-3,10,15H2,1H3
InChIKeyPIHZRJPGEQEBRV-UHFFFAOYSA-N
MW350.49 g/mol
LogP6.61
Rot. Bonds8

About 1,1-diphenylhexoxy-bis(sulfanyl)phosphane

1,1-diphenylhexoxy-bis(sulfanyl)phosphane (PubChem CID 54190731) has the molecular formula C18H23OPS2 and a molecular weight of 350.49 g/mol. Its IUPAC name is 1,1-diphenylhexoxy-bis(sulfanyl)phosphane.

Molecular Properties

Compound Name1,1-diphenylhexoxy-bis(sulfanyl)phosphane
PubChem CID54190731
Molecular FormulaC18H23OPS2
Molecular Weight350.49 g/mol
Exact Mass350.09
IUPAC Name1,1-diphenylhexoxy-bis(sulfanyl)phosphane
SMILESCCCCCC(OP(S)S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23OPS2/c1-2-3-10-15-18(19-20(21)22,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14,21-22H,2-3,10,15H2,1H3
InChIKeyPIHZRJPGEQEBRV-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,1-diphenylhexoxy-bis(sulfanyl)phosphane 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

(1-ethoxy-1-phenyldecyl)benzene
CID 150440609
1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
CID 21499219
1,1-diphenylhexan-1-amine
CID 20568221
tris(1,1-diphenyltridecyl) phosphate
CID 87921329
1,1-diphenyldodecan-1-amine
CID 19925745
1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane
CID 54059108
15-phenylnonacosan-15-ylbenzene
CID 141310981
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
5-butylhexadecan-5-ylbenzene
CID 173084700
tert-butylbenzene;hexane
CID 175254424
2-phenylheptan-2-yloxysilane
CID 173162133
1-methoxy-2-phenylheptan-2-ol
CID 103465294

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylhexoxy-bis(sulfanyl)phosphane?
The IUPAC name of 1,1-diphenylhexoxy-bis(sulfanyl)phosphane (CID 54190731) is 1,1-diphenylhexoxy-bis(sulfanyl)phosphane.
What is the SMILES notation for 1,1-diphenylhexoxy-bis(sulfanyl)phosphane?
The canonical SMILES for 1,1-diphenylhexoxy-bis(sulfanyl)phosphane is CCCCCC(OP(S)S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylhexoxy-bis(sulfanyl)phosphane?
The InChIKey is PIHZRJPGEQEBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OPS2/c1-2-3-10-15-18(19-20(21)22,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14,21-22H,2-3,10,15H2,1H3.
What are the key properties of 1,1-diphenylhexoxy-bis(sulfanyl)phosphane?
1,1-diphenylhexoxy-bis(sulfanyl)phosphane has a molecular weight of 350.49 g/mol, XLogP of 6.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylhexoxy-bis(sulfanyl)phosphane is sourced from PubChem (CID 54190731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).