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

C48H28N4O2 — CID 168784979

IUPAC9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)nc(-c3cccc4oc5ccncc5c34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-2-10-31(11-3-1)46-50-47(52-48(51-46)38-16-9-19-43-45(38)39-28-49-27-26-41(39)54-43)36-25-24-32(34-12-4-5-13-35(34)36)29-20-22-30(23-21-29)33-15-8-18-42-44(33)37-14-6-7-17-40(37)53-42/h1-28H
InChIKeyZYCQVIGPYZVTPA-UHFFFAOYSA-N
MW692.78 g/mol
LogP12.55
Rot. Bonds5

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

9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 168784979) has the molecular formula C48H28N4O2 and a molecular weight of 692.78 g/mol. Its IUPAC name is 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID168784979
Molecular FormulaC48H28N4O2
Molecular Weight692.78 g/mol
Exact Mass692.22
IUPAC Name9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)nc(-c3cccc4oc5ccncc5c34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-2-10-31(11-3-1)46-50-47(52-48(51-46)38-16-9-19-43-45(38)39-28-49-27-26-41(39)54-43)36-25-24-32(34-12-4-5-13-35(34)36)29-20-22-30(23-21-29)33-15-8-18-42-44(33)37-14-6-7-17-40(37)53-42/h1-28H
InChIKeyZYCQVIGPYZVTPA-UHFFFAOYSA-N
XLogP12.55
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
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
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
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
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-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785670
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
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
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 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) is 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)nc(-c3cccc4oc5ccncc5c34)n2)cc1.
What is the InChIKey of 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is ZYCQVIGPYZVTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O2/c1-2-10-31(11-3-1)46-50-47(52-48(51-46)38-16-9-19-43-45(38)39-28-49-27-26-41(39)54-43)36-25-24-32(34-12-4-5-13-35(34)36)29-20-22-30(23-21-29)33-15-8-18-42-44(33)37-14-6-7-17-40(37)53-42/h1-28H.
What are the key properties of 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 692.78 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168784979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).