2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole

C75H47N7 — CID 155232653

About 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole

2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole (PubChem CID 155232653) has the molecular formula C75H47N7 and a molecular weight of 1046.25 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
• PubChem CID: 155232653
• Molecular Formula: C75H47N7
• Molecular Weight: 1046.25 g/mol
• Exact Mass: 1045.39
• IUPAC Name: 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)n2)cc1
• InChI: InChI=1S/C75H47N7/c1-4-21-48(22-5-1)73-76-74(49-23-6-2-7-24-49)78-75(77-73)62-45-50(54-32-20-38-69-72(54)61-31-14-19-37-67(61)79(69)51-25-8-3-9-26-51)39-44-68(62)82-70-46-52(80-63-33-15-10-27-55(63)56-28-11-16-34-64(56)80)40-42-59(70)60-43-41-53(47-71(60)82)81-65-35-17-12-29-57(65)58-30-13-18-36-66(58)81/h1-47H
• InChIKey: MXMTYLUOSQTIMK-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.25
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole?

The IUPAC name of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole (CID 155232653) is 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole.

What is the SMILES notation for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole?

The canonical SMILES for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)n2)cc1.

What is the InChIKey of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole?

The InChIKey is MXMTYLUOSQTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N7/c1-4-21-48(22-5-1)73-76-74(49-23-6-2-7-24-49)78-75(77-73)62-45-50(54-32-20-38-69-72(54)61-31-14-19-37-67(61)79(69)51-25-8-3-9-26-51)39-44-68(62)82-70-46-52(80-63-33-15-10-27-55(63)56-28-11-16-34-64(56)80)40-42-59(70)60-43-41-53(47-71(60)82)81-65-35-17-12-29-57(65)58-30-13-18-36-66(58)81/h1-47H.

What are the key properties of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole?

2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole has a molecular weight of 1046.25 g/mol, XLogP of 18.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole is sourced from PubChem (CID 155232653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).