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

C68H43N7 — CID 118699027

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

3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 118699027) has the molecular formula C68H43N7 and a molecular weight of 958.14 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 118699027
• Molecular Formula: C68H43N7
• Molecular Weight: 958.14 g/mol
• Exact Mass: 957.36
• IUPAC Name: 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1
• InChI: InChI=1S/C68H43N7/c1-4-15-44(16-5-1)66-70-67(45-35-37-69-38-36-45)72-68(71-66)50-17-14-22-53(39-50)75-64-33-29-48(46-27-31-62-56(40-46)54-23-10-12-25-60(54)73(62)51-18-6-2-7-19-51)42-58(64)59-43-49(30-34-65(59)75)47-28-32-63-57(41-47)55-24-11-13-26-61(55)74(63)52-20-8-3-9-21-52/h1-43H
• InChIKey: ZPJZWTCJEVJYKF-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 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?

The IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 118699027) is 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.

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

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

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

3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]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 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118699027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).