5-diphenylphosphanylphenanthrene-4-thiol

C26H19PS — CID 118404150

IUPAC5-diphenylphosphanylphenanthrene-4-thiol
SMILESSc1cccc2ccc3cccc(P(c4ccccc4)c4ccccc4)c3c12
InChIInChI=1S/C26H19PS/c28-24-16-8-10-20-18-17-19-9-7-15-23(25(19)26(20)24)27(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,28H
InChIKeyBJBUSPSXYQQVCR-UHFFFAOYSA-N
MW394.48 g/mol
LogP6.04
Rot. Bonds3

About 5-diphenylphosphanylphenanthrene-4-thiol

5-diphenylphosphanylphenanthrene-4-thiol (PubChem CID 118404150) has the molecular formula C26H19PS and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-diphenylphosphanylphenanthrene-4-thiol.

Molecular Properties

Compound Name5-diphenylphosphanylphenanthrene-4-thiol
PubChem CID118404150
Molecular FormulaC26H19PS
Molecular Weight394.48 g/mol
Exact Mass394.09
IUPAC Name5-diphenylphosphanylphenanthrene-4-thiol
SMILESSc1cccc2ccc3cccc(P(c4ccccc4)c4ccccc4)c3c12
InChIInChI=1S/C26H19PS/c28-24-16-8-10-20-18-17-19-9-7-15-23(25(19)26(20)24)27(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,28H
InChIKeyBJBUSPSXYQQVCR-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-diphenylphosphanylnaphthalene-1-thiol
CID 58555902
8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
CID 102023770
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
CID 11039191
perylen-3-yl(diphenyl)phosphane
CID 91193138
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165
(4-methylphenyl)-phenyl-pyren-1-ylphosphane
CID 101061260
8-aminonaphthalene-1-thiol
CID 12574382
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
[8-(bromomethyl)naphthalen-1-yl]methyl-(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphanium
CID 102203575
CID 158028743
CID 158028743
(12-diphenylphosphanyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl)-diphenylphosphane
CID 635885

Frequently Asked Questions

What is the IUPAC name of 5-diphenylphosphanylphenanthrene-4-thiol?
The IUPAC name of 5-diphenylphosphanylphenanthrene-4-thiol (CID 118404150) is 5-diphenylphosphanylphenanthrene-4-thiol.
What is the SMILES notation for 5-diphenylphosphanylphenanthrene-4-thiol?
The canonical SMILES for 5-diphenylphosphanylphenanthrene-4-thiol is Sc1cccc2ccc3cccc(P(c4ccccc4)c4ccccc4)c3c12.
What is the InChIKey of 5-diphenylphosphanylphenanthrene-4-thiol?
The InChIKey is BJBUSPSXYQQVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19PS/c28-24-16-8-10-20-18-17-19-9-7-15-23(25(19)26(20)24)27(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,28H.
What are the key properties of 5-diphenylphosphanylphenanthrene-4-thiol?
5-diphenylphosphanylphenanthrene-4-thiol has a molecular weight of 394.48 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylphosphanylphenanthrene-4-thiol is sourced from PubChem (CID 118404150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).