10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

C62H39N5O — CID 153459541

About 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 153459541) has the molecular formula C62H39N5O and a molecular weight of 870.03 g/mol. Its IUPAC name is 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 153459541
• Molecular Formula: C62H39N5O
• Molecular Weight: 870.03 g/mol
• Exact Mass: 869.32
• IUPAC Name: 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cnc3-c3ccc4c(c3)oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C62H39N5O/c1-6-19-40(20-7-1)47-30-18-31-48(41-21-8-2-9-22-41)56(47)45-37-52(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)58(63-39-45)44-33-34-49-50-35-36-54-57(59(50)68-55(49)38-44)51-29-16-17-32-53(51)67(54)46-27-14-5-15-28-46/h1-39H
• InChIKey: QAZMVPLEJXYIIM-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.03
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 153459541) is 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cnc3-c3ccc4c(c3)oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The InChIKey is QAZMVPLEJXYIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5O/c1-6-19-40(20-7-1)47-30-18-31-48(41-21-8-2-9-22-41)56(47)45-37-52(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)58(63-39-45)44-33-34-49-50-35-36-54-57(59(50)68-55(49)38-44)51-29-16-17-32-53(51)67(54)46-27-14-5-15-28-46/h1-39H.

What are the key properties of 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 870.03 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 153459541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).