9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine

C32H20N4O — CID 168785581

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3c(c2)oc2ccncc23)cc1
InChIInChI=1S/C32H20N4O/c1-4-10-21(11-5-1)24-18-25(29-26-20-33-17-16-27(26)37-28(29)19-24)32-35-30(22-12-6-2-7-13-22)34-31(36-32)23-14-8-3-9-15-23/h1-20H
InChIKeyMTWOQPVJWWRECJ-UHFFFAOYSA-N
MW476.54 g/mol
LogP7.83
Rot. Bonds4

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 168785581) has the molecular formula C32H20N4O and a molecular weight of 476.54 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine
PubChem CID168785581
Molecular FormulaC32H20N4O
Molecular Weight476.54 g/mol
Exact Mass476.16
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3c(c2)oc2ccncc23)cc1
InChIInChI=1S/C32H20N4O/c1-4-10-21(11-5-1)24-18-25(29-26-20-33-17-16-27(26)37-28(29)19-24)32-35-30(22-12-6-2-7-13-22)34-31(36-32)23-14-8-3-9-15-23/h1-20H
InChIKeyMTWOQPVJWWRECJ-UHFFFAOYSA-N
XLogP7.83
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785118
9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 168785246
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166502717
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 168785274
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314684
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168784979

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine (CID 168785581) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3c(c2)oc2ccncc23)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is MTWOQPVJWWRECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4O/c1-4-10-21(11-5-1)24-18-25(29-26-20-33-17-16-27(26)37-28(29)19-24)32-35-30(22-12-6-2-7-13-22)34-31(36-32)23-14-8-3-9-15-23/h1-20H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 476.54 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168785581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).