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

C75H47N7 — CID 142597402

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

3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 142597402) has the molecular formula C75H47N7 and a molecular weight of 1046.25 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• PubChem CID: 142597402
• Molecular Formula: C75H47N7
• Molecular Weight: 1046.25 g/mol
• Exact Mass: 1045.39
• IUPAC Name: 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1
• InChI: InChI=1S/C75H47N7/c1-3-21-48(22-4-1)73-76-74(49-23-5-2-6-24-49)78-75(77-73)50-39-42-60(72(45-50)82-69-38-20-13-31-59(69)62-47-52(41-44-71(62)82)80-65-34-16-9-27-55(65)56-28-10-17-35-66(56)80)57-29-11-18-36-67(57)81-68-37-19-12-30-58(68)61-46-51(40-43-70(61)81)79-63-32-14-7-25-53(63)54-26-8-15-33-64(54)79/h1-47H
• InChIKey: HQDZWKJGNGANTO-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 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 142597402) is 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.

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

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

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

3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 142597402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).