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

C36H22N4O — CID 118245530

IUPAC1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5nccc6c5oc5ccccc56)ccc4c3)n2)cc1
InChIInChI=1S/C36H22N4O/c1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)28-18-16-25-21-27(17-15-26(25)22-28)32-33-30(19-20-37-32)29-13-7-8-14-31(29)41-33/h1-22H
InChIKeyZHQSBCLKJMTQGT-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.99
Rot. Bonds4

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

1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 118245530) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID118245530
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5nccc6c5oc5ccccc56)ccc4c3)n2)cc1
InChIInChI=1S/C36H22N4O/c1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)28-18-16-25-21-27(17-15-26(25)22-28)32-33-30(19-20-37-32)29-13-7-8-14-31(29)41-33/h1-22H
InChIKeyZHQSBCLKJMTQGT-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

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

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Related Compounds

1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746129
1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168747076
2-(3-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 155473814
1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 88857589
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 168785404
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine (CID 118245530) is 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5nccc6c5oc5ccccc56)ccc4c3)n2)cc1.
What is the InChIKey of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is ZHQSBCLKJMTQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)28-18-16-25-21-27(17-15-26(25)22-28)32-33-30(19-20-37-32)29-13-7-8-14-31(29)41-33/h1-22H.
What are the key properties of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine?
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine 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 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 118245530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).