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

C68H43N7 — CID 118699054

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

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 118699054) has the molecular formula C68H43N7 and a molecular weight of 958.14 g/mol. Its IUPAC name is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
• PubChem CID: 118699054
• Molecular Formula: C68H43N7
• Molecular Weight: 958.14 g/mol
• Exact Mass: 957.36
• IUPAC Name: 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cn3)n2)cc1
• InChI: InChI=1S/C68H43N7/c1-5-17-44(18-6-1)66-70-67(45-19-7-2-8-20-45)72-68(71-66)59-34-33-52(43-69-59)75-64-37-31-48(46-29-35-62-55(39-46)53-25-13-15-27-60(53)73(62)50-21-9-3-10-22-50)41-57(64)58-42-49(32-38-65(58)75)47-30-36-63-56(40-47)54-26-14-16-28-61(54)74(63)51-23-11-4-12-24-51/h1-43H
• InChIKey: RENGGNSRZKQKOB-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.14
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 118699054) is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

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

The canonical SMILES for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cn3)n2)cc1.

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

The InChIKey is RENGGNSRZKQKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N7/c1-5-17-44(18-6-1)66-70-67(45-19-7-2-8-20-45)72-68(71-66)59-34-33-52(43-69-59)75-64-37-31-48(46-29-35-62-55(39-46)53-25-13-15-27-60(53)73(62)50-21-9-3-10-22-50)41-57(64)58-42-49(32-38-65(58)75)47-30-36-63-56(40-47)54-26-14-16-28-61(54)74(63)51-23-11-4-12-24-51/h1-43H.

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

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 958.14 g/mol, XLogP of 16.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 118699054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).