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

C46H28N4O — CID 168785118

IUPAC9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6oc7ccncc7c56)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-12-29(13-4-1)44-48-45(30-14-5-2-6-15-30)50-46(49-44)39-25-24-36(33-18-9-10-19-34(33)39)35-22-23-37(32-17-8-7-16-31(32)35)38-20-11-21-42-43(38)40-28-47-27-26-41(40)51-42/h1-28H
InChIKeyLUSGAMGLBRCQCY-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.81
Rot. Bonds5

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

9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 168785118) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID168785118
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6oc7ccncc7c56)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-12-29(13-4-1)44-48-45(30-14-5-2-6-15-30)50-46(49-44)39-25-24-36(33-18-9-10-19-34(33)39)35-22-23-37(32-17-8-7-16-31(32)35)38-20-11-21-42-43(38)40-28-47-27-26-41(40)51-42/h1-28H
InChIKeyLUSGAMGLBRCQCY-UHFFFAOYSA-N
XLogP11.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785084
9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801679
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
9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 168785246
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine
CID 168785611
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 168785581
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 165090138
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785394

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 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) is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6oc7ccncc7c56)c5ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is LUSGAMGLBRCQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-3-12-29(13-4-1)44-48-45(30-14-5-2-6-15-30)50-46(49-44)39-25-24-36(33-18-9-10-19-34(33)39)35-22-23-37(32-17-8-7-16-31(32)35)38-20-11-21-42-43(38)40-28-47-27-26-41(40)51-42/h1-28H.
What are the key properties of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine?
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 652.76 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168785118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).