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

C44H27N5O — CID 118507989

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc5c34)n2)cc1
InChIInChI=1S/C44H27N5O/c1-4-13-28(14-5-1)42-46-43(29-15-6-2-7-16-29)48-44(47-42)33-20-12-22-38-40(33)41-39(50-38)26-24-35(45-41)30-23-25-37-34(27-30)32-19-10-11-21-36(32)49(37)31-17-8-3-9-18-31/h1-27H
InChIKeyNCKLDIPEJNBSLB-UHFFFAOYSA-N
MW641.73 g/mol
LogP10.93
Rot. Bonds5

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 118507989) has the molecular formula C44H27N5O and a molecular weight of 641.73 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine
PubChem CID118507989
Molecular FormulaC44H27N5O
Molecular Weight641.73 g/mol
Exact Mass641.22
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc5c34)n2)cc1
InChIInChI=1S/C44H27N5O/c1-4-13-28(14-5-1)42-46-43(29-15-6-2-7-16-29)48-44(47-42)33-20-12-22-38-40(33)41-39(50-38)26-24-35(45-41)30-23-25-37-34(27-30)32-19-10-11-21-36(32)49(37)31-17-8-3-9-18-31/h1-27H
InChIKeyNCKLDIPEJNBSLB-UHFFFAOYSA-N
XLogP10.93
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 118508108
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768287
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine (CID 118507989) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc5c34)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is NCKLDIPEJNBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5O/c1-4-13-28(14-5-1)42-46-43(29-15-6-2-7-16-29)48-44(47-42)33-20-12-22-38-40(33)41-39(50-38)26-24-35(45-41)30-23-25-37-34(27-30)32-19-10-11-21-36(32)49(37)31-17-8-3-9-18-31/h1-27H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 641.73 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 118507989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).