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

C49H32NO2P — CID 161080060

IUPAC6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3nc4ccc(-c5ccc6ccccc6c5)cc4c4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C49H32NO2P/c51-53(40-15-3-1-4-16-40,41-17-5-2-6-18-41)42-19-11-14-37(31-42)34-22-25-35(26-23-34)48-49-47(43-20-9-10-21-46(43)52-49)44-32-39(28-29-45(44)50-48)38-27-24-33-12-7-8-13-36(33)30-38/h1-32H
InChIKeyOMZCZJSRNJQQIO-UHFFFAOYSA-N
MW697.77 g/mol
LogP11.93
Rot. Bonds6

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

6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline (PubChem CID 161080060) has the molecular formula C49H32NO2P and a molecular weight of 697.77 g/mol. Its IUPAC name is 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
PubChem CID161080060
Molecular FormulaC49H32NO2P
Molecular Weight697.77 g/mol
Exact Mass697.22
IUPAC Name6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3nc4ccc(-c5ccc6ccccc6c5)cc4c4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C49H32NO2P/c51-53(40-15-3-1-4-16-40,41-17-5-2-6-18-41)42-19-11-14-37(31-42)34-22-25-35(26-23-34)48-49-47(43-20-9-10-21-46(43)52-49)44-32-39(28-29-45(44)50-48)38-27-24-33-12-7-8-13-36(33)30-38/h1-32H
InChIKeyOMZCZJSRNJQQIO-UHFFFAOYSA-N
XLogP11.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.77
LogP ≤ 511.93
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-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
4-[3-(3-diphenylphosphorylphenyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline
CID 146893250
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
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-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 129086220
11-[3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 162703565
8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
CID 166031069
11-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 162703271
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 163472733
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
12-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129123316

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline (CID 161080060) is 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3nc4ccc(-c5ccc6ccccc6c5)cc4c4c3oc3ccccc34)cc2)c1.
What is the InChIKey of 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is OMZCZJSRNJQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32NO2P/c51-53(40-15-3-1-4-16-40,41-17-5-2-6-18-41)42-19-11-14-37(31-42)34-22-25-35(26-23-34)48-49-47(43-20-9-10-21-46(43)52-49)44-32-39(28-29-45(44)50-48)38-27-24-33-12-7-8-13-36(33)30-38/h1-32H.
What are the key properties of 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 697.77 g/mol, XLogP of 11.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 161080060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).