2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole

C69H44N6 — CID 174271990

About 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole

2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174271990) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole
• PubChem CID: 174271990
• Molecular Formula: C69H44N6
• Molecular Weight: 957.15 g/mol
• Exact Mass: 956.36
• IUPAC Name: 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5c5ccccc5n6-c5ccccc5)cccc43)c2)cc1
• InChI: InChI=1S/C69H44N6/c1-5-22-45(23-6-1)48-40-41-56(69-71-67(46-24-7-2-8-25-46)70-68(72-69)47-26-9-3-10-27-47)63(42-48)75-61-38-20-16-33-55(61)65-53(34-21-39-62(65)75)57-43-50(74-58-35-17-13-30-51(58)52-31-14-18-36-59(52)74)44-64-66(57)54-32-15-19-37-60(54)73(64)49-28-11-4-12-29-49/h1-44H
• InChIKey: MDJFHPPHLGDNFM-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.15
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174271990) is 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5c5ccccc5n6-c5ccccc5)cccc43)c2)cc1.

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

The InChIKey is MDJFHPPHLGDNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-5-22-45(23-6-1)48-40-41-56(69-71-67(46-24-7-2-8-25-46)70-68(72-69)47-26-9-3-10-27-47)63(42-48)75-61-38-20-16-33-55(61)65-53(34-21-39-62(65)75)57-43-50(74-58-35-17-13-30-51(58)52-31-14-18-36-59(52)74)44-64-66(57)54-32-15-19-37-60(54)73(64)49-28-11-4-12-29-49/h1-44H.

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

2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 957.15 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174271990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).