9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole

C89H57N9 — CID 166759249

About 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole

9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 166759249) has the molecular formula C89H57N9 and a molecular weight of 1252.50 g/mol. Its IUPAC name is 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
• PubChem CID: 166759249
• Molecular Formula: C89H57N9
• Molecular Weight: 1252.50 g/mol
• Exact Mass: 1251.47
• IUPAC Name: 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cn2)cc1
• InChI: InChI=1S/C89H57N9/c1-9-26-58(27-10-1)66-44-48-77-72(52-66)73-53-67(59-28-11-2-12-29-59)45-49-78(73)97(77)81-57-90-82(98-79-50-46-68(60-30-13-3-14-31-60)54-74(79)75-55-69(47-51-80(75)98)61-32-15-4-16-33-61)56-76(81)70-42-25-43-71(88-93-84(62-34-17-5-18-35-62)91-85(94-88)63-36-19-6-20-37-63)83(70)89-95-86(64-38-21-7-22-39-64)92-87(96-89)65-40-23-8-24-41-65/h1-57H
• InChIKey: GJGLZQXLBKNYEY-UHFFFAOYSA-N
• XLogP: 21.98
• TPSA: 100.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1252.50
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole (CID 166759249) is 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole.

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

The canonical SMILES for 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cn2)cc1.

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

The InChIKey is GJGLZQXLBKNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H57N9/c1-9-26-58(27-10-1)66-44-48-77-72(52-66)73-53-67(59-28-11-2-12-29-59)45-49-78(73)97(77)81-57-90-82(98-79-50-46-68(60-30-13-3-14-31-60)54-74(79)75-55-69(47-51-80(75)98)61-32-15-4-16-33-61)56-76(81)70-42-25-43-71(88-93-84(62-34-17-5-18-35-62)91-85(94-88)63-36-19-6-20-37-63)83(70)89-95-86(64-38-21-7-22-39-64)92-87(96-89)65-40-23-8-24-41-65/h1-57H.

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

9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 1252.50 g/mol, XLogP of 21.98, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 166759249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).