6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline

C42H24N4O2 — CID 166502770

IUPAC6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4ccccc4)c4oc5cc6ncccc6cc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-3-11-25(12-4-1)28-20-21-31(38-32-23-27-15-10-22-43-33(27)24-36(32)48-39(28)38)42-45-40(26-13-5-2-6-14-26)44-41(46-42)30-17-9-19-35-37(30)29-16-7-8-18-34(29)47-35/h1-24H
InChIKeyBPAFTNMAEFCXHO-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

About 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline

6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline (PubChem CID 166502770) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline.

Molecular Properties

Compound Name6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
PubChem CID166502770
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4ccccc4)c4oc5cc6ncccc6cc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-3-11-25(12-4-1)28-20-21-31(38-32-23-27-15-10-22-43-33(27)24-36(32)48-39(28)38)42-45-40(26-13-5-2-6-14-26)44-41(46-42)30-17-9-19-35-37(30)29-16-7-8-18-34(29)47-35/h1-24H
InChIKeyBPAFTNMAEFCXHO-UHFFFAOYSA-N
XLogP10.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline with MolForge

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Related Compounds

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502443
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
CID 163605494
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502716
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502591
9-dibenzothiophen-4-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502732
6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-b]quinoline;10-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-g]quinoline;12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 167554324
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-[1]benzofuro[3,2-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]quinoline
CID 167616003
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
The IUPAC name of 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline (CID 166502770) is 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline.
What is the SMILES notation for 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
The canonical SMILES for 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4ccccc4)c4oc5cc6ncccc6cc5c34)n2)cc1.
What is the InChIKey of 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
The InChIKey is BPAFTNMAEFCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-3-11-25(12-4-1)28-20-21-31(38-32-23-27-15-10-22-43-33(27)24-36(32)48-39(28)38)42-45-40(26-13-5-2-6-14-26)44-41(46-42)30-17-9-19-35-37(30)29-16-7-8-18-34(29)47-35/h1-24H.
What are the key properties of 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline has a molecular weight of 616.68 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline is sourced from PubChem (CID 166502770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).