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

C37H23N3O — CID 158448378

IUPAC4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3ccccc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H23N3O/c1-4-13-24(14-5-1)30-23-31(39-37(38-30)26-17-8-3-9-18-26)27-20-12-21-29-35(27)40-34(25-15-6-2-7-16-25)33-28-19-10-11-22-32(28)41-36(29)33/h1-23H
InChIKeyZRODCXKUXNANCF-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

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

4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline (PubChem CID 158448378) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
PubChem CID158448378
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3ccccc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H23N3O/c1-4-13-24(14-5-1)30-23-31(39-37(38-30)26-17-8-3-9-18-26)27-20-12-21-29-35(27)40-34(25-15-6-2-7-16-25)33-28-19-10-11-22-32(28)41-36(29)33/h1-23H
InChIKeyZRODCXKUXNANCF-UHFFFAOYSA-N
XLogP9.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 158431383
4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159309562
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226927
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226928
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159893353
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 159778043
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158226926
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 161214139
4-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159819901
4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157452811
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 157112850
1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 147593443

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline (CID 158448378) is 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3cccc4c3nc(-c3ccccc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is ZRODCXKUXNANCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-4-13-24(14-5-1)30-23-31(39-37(38-30)26-17-8-3-9-18-26)27-20-12-21-29-35(27)40-34(25-15-6-2-7-16-25)33-28-19-10-11-22-32(28)41-36(29)33/h1-23H.
What are the key properties of 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 525.61 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 158448378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).