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

C37H23N3O — CID 147593443

IUPAC1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4nc(-c5ccccc5)c5c6ccccc6oc5c34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-4-13-24(14-5-1)30-23-31(25-15-6-2-7-16-25)40-37(39-30)28-20-12-21-29-33(28)36-34(27-19-10-11-22-32(27)41-36)35(38-29)26-17-8-3-9-18-26/h1-23H
InChIKeyFYSQLJLIALLSDE-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

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

1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline (PubChem CID 147593443) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
PubChem CID147593443
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4nc(-c5ccccc5)c5c6ccccc6oc5c34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-4-13-24(14-5-1)30-23-31(25-15-6-2-7-16-25)40-37(39-30)28-20-12-21-29-33(28)36-34(27-19-10-11-22-32(27)41-36)35(38-29)26-17-8-3-9-18-26/h1-23H
InChIKeyFYSQLJLIALLSDE-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

1-phenanthren-9-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159384571
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158962614
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
CID 152804973
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159208393
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline
CID 147731152
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978
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
11-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 162703453
3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158159286
11-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513536

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline (CID 147593443) is 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4nc(-c5ccccc5)c5c6ccccc6oc5c34)n2)cc1.
What is the InChIKey of 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is FYSQLJLIALLSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-4-13-24(14-5-1)30-23-31(25-15-6-2-7-16-25)40-37(39-30)28-20-12-21-29-33(28)36-34(27-19-10-11-22-32(27)41-36)35(38-29)26-17-8-3-9-18-26/h1-23H.
What are the key properties of 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline?
1-(4,6-diphenylpyrimidin-2-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 1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 147593443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).