3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole

C62H39N7 — CID 138578581

About 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole

3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (PubChem CID 138578581) has the molecular formula C62H39N7 and a molecular weight of 882.04 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
• PubChem CID: 138578581
• Molecular Formula: C62H39N7
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.33
• IUPAC Name: 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccn4)ccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
• InChI: InChI=1S/C62H39N7/c1-3-17-40(18-4-1)60-64-61(41-19-5-2-6-20-41)66-62(65-60)51-37-42(52-25-15-16-36-63-52)30-33-59(51)69-57-34-31-43(67-53-26-11-7-21-45(53)46-22-8-12-27-54(46)67)38-49(57)50-39-44(32-35-58(50)69)68-55-28-13-9-23-47(55)48-24-10-14-29-56(48)68/h1-39H
• InChIKey: RPWYNTBTLFYGKD-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?

The IUPAC name of 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (CID 138578581) is 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole.

What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?

The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccn4)ccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.

What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?

The InChIKey is RPWYNTBTLFYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7/c1-3-17-40(18-4-1)60-64-61(41-19-5-2-6-20-41)66-62(65-60)51-37-42(52-25-15-16-36-63-52)30-33-59(51)69-57-34-31-43(67-53-26-11-7-21-45(53)46-22-8-12-27-54(46)67)38-49(57)50-39-44(32-35-58(50)69)68-55-28-13-9-23-47(55)48-24-10-14-29-56(48)68/h1-39H.

What are the key properties of 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?

3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole has a molecular weight of 882.04 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 138578581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).