6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline

C33H22NO2P — CID 129086220

IUPAC6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3oc4ccccc4c23)cc1
InChIInChI=1S/C33H22NO2P/c35-37(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)32-31-28-16-8-10-18-30(28)36-33(31)27-15-7-9-17-29(27)34-32/h1-22H
InChIKeyPPQOVEGWSDVKOX-UHFFFAOYSA-N
MW495.52 g/mol
LogP7.44
Rot. Bonds4

About 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline

6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline (PubChem CID 129086220) has the molecular formula C33H22NO2P and a molecular weight of 495.52 g/mol. Its IUPAC name is 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline
PubChem CID129086220
Molecular FormulaC33H22NO2P
Molecular Weight495.52 g/mol
Exact Mass495.14
IUPAC Name6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3oc4ccccc4c23)cc1
InChIInChI=1S/C33H22NO2P/c35-37(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)32-31-28-16-8-10-18-30(28)36-33(31)27-15-7-9-17-29(27)34-32/h1-22H
InChIKeyPPQOVEGWSDVKOX-UHFFFAOYSA-N
XLogP7.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.52
LogP ≤ 57.44
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

2-(4-diphenylphosphorylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246791
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 146497836
6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
CID 161080060
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
2-[4-(3-diphenylphosphorylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246906
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159296386
6-(4-diphenylphosphorylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138650767
6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 164816907
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
CID 152804973
6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129085825

Frequently Asked Questions

What is the IUPAC name of 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline (CID 129086220) is 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3oc4ccccc4c23)cc1.
What is the InChIKey of 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline?
The InChIKey is PPQOVEGWSDVKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22NO2P/c35-37(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)32-31-28-16-8-10-18-30(28)36-33(31)27-15-7-9-17-29(27)34-32/h1-22H.
What are the key properties of 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline?
6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline has a molecular weight of 495.52 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 129086220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).