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

C68H43N11 — CID 138578744

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

3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (PubChem CID 138578744) has the molecular formula C68H43N11 and a molecular weight of 1014.17 g/mol. Its IUPAC name is 3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
• PubChem CID: 138578744
• Molecular Formula: C68H43N11
• Molecular Weight: 1014.17 g/mol
• Exact Mass: 1013.37
• IUPAC Name: 3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4ccccn4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
• InChI: InChI=1S/C68H43N11/c1-7-21-44(22-8-1)60-70-61(45-23-9-2-10-24-45)74-66(73-60)51-35-38-57-53(42-51)54-43-52(67-75-62(46-25-11-3-12-26-46)71-63(76-67)47-27-13-4-14-28-47)36-39-58(54)79(57)59-37-34-50(56-33-19-20-40-69-56)41-55(59)68-77-64(48-29-15-5-16-30-48)72-65(78-68)49-31-17-6-18-32-49/h1-43H
• InChIKey: HEXLTBFWEGJBAR-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 133.83 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.17
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (CID 138578744) is 3,6-bis(4,6-diphenyl-1,3,5-triazin-2-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-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?

The canonical SMILES for 3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4ccccn4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.

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

The InChIKey is HEXLTBFWEGJBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N11/c1-7-21-44(22-8-1)60-70-61(45-23-9-2-10-24-45)74-66(73-60)51-35-38-57-53(42-51)54-43-52(67-75-62(46-25-11-3-12-26-46)71-63(76-67)47-27-13-4-14-28-47)36-39-58(54)79(57)59-37-34-50(56-33-19-20-40-69-56)41-55(59)68-77-64(48-29-15-5-16-30-48)72-65(78-68)49-31-17-6-18-32-49/h1-43H.

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

3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole has a molecular weight of 1014.17 g/mol, XLogP of 15.40, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 138578744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).