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

C36H22N4O — CID 166502443

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4oc5cc6ncccc6cc5c34)n2)cc1
InChIInChI=1S/C36H22N4O/c1-4-11-23(12-5-1)27-18-19-28(32-29-21-26-17-10-20-37-30(26)22-31(29)41-33(27)32)36-39-34(24-13-6-2-7-14-24)38-35(40-36)25-15-8-3-9-16-25/h1-22H
InChIKeyAKOKBHUKFAXZOT-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.99
Rot. Bonds4

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

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline (PubChem CID 166502443) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
PubChem CID166502443
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4oc5cc6ncccc6cc5c34)n2)cc1
InChIInChI=1S/C36H22N4O/c1-4-11-23(12-5-1)27-18-19-28(32-29-21-26-17-10-20-37-30(26)22-31(29)41-33(27)32)36-39-34(24-13-6-2-7-14-24)38-35(40-36)25-15-8-3-9-16-25/h1-22H
InChIKeyAKOKBHUKFAXZOT-UHFFFAOYSA-N
XLogP8.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
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-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
9-dibenzothiophen-4-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502732
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
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 167604779
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2,4-bis(4-phenylphenyl)-6-[4-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 163672601
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline
CID 166502562
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
CID 166867460
2-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline (CID 166502443) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4oc5cc6ncccc6cc5c34)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
The InChIKey is AKOKBHUKFAXZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-4-11-23(12-5-1)27-18-19-28(32-29-21-26-17-10-20-37-30(26)22-31(29)41-33(27)32)36-39-34(24-13-6-2-7-14-24)38-35(40-36)25-15-8-3-9-16-25/h1-22H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline has a molecular weight of 526.60 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline is sourced from PubChem (CID 166502443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).