6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline

C33H22NOPS — CID 129134322

IUPAC6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3sc4ccccc4c23)c1
InChIInChI=1S/C33H22NOPS/c35-36(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)32-31-28-19-8-10-21-30(28)37-33(31)27-18-7-9-20-29(27)34-32/h1-22H
InChIKeyRAXVLQGJYSOWGK-UHFFFAOYSA-N
MW511.59 g/mol
LogP7.91
Rot. Bonds4

About 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline

6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline (PubChem CID 129134322) has the molecular formula C33H22NOPS and a molecular weight of 511.59 g/mol. Its IUPAC name is 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline
PubChem CID129134322
Molecular FormulaC33H22NOPS
Molecular Weight511.59 g/mol
Exact Mass511.12
IUPAC Name6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3sc4ccccc4c23)c1
InChIInChI=1S/C33H22NOPS/c35-36(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)32-31-28-19-8-10-21-30(28)37-33(31)27-18-7-9-20-29(27)34-32/h1-22H
InChIKeyRAXVLQGJYSOWGK-UHFFFAOYSA-N
XLogP7.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085906
6-[4-[4-[benzyl(phenyl)phosphoryl]phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 144984368
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086221
6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129086165
6-[3-[4-(4-phenanthren-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 161054592
3-phenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158533695
6-[4-(4-diphenylphosphorylphenyl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159989532
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 160727234
9-(3-diphenylphosphorylphenyl)acridine
CID 146204114
6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129134319

Frequently Asked Questions

What is the IUPAC name of 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline (CID 129134322) is 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3sc4ccccc4c23)c1.
What is the InChIKey of 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is RAXVLQGJYSOWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22NOPS/c35-36(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)32-31-28-19-8-10-21-30(28)37-33(31)27-18-7-9-20-29(27)34-32/h1-22H.
What are the key properties of 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline?
6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 511.59 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 129134322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).