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

C63H38N6 — CID 152880708

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

9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 152880708) has the molecular formula C63H38N6 and a molecular weight of 879.04 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 152880708
• Molecular Formula: C63H38N6
• Molecular Weight: 879.04 g/mol
• Exact Mass: 878.32
• IUPAC Name: 9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc2c(c1)-c1ccccc1-c1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2
• InChI: InChI=1S/C63H38N6/c1-2-20-40-39(19-1)41-21-3-5-23-43(41)51-37-53(60(38-52(51)44-24-6-4-22-42(40)44)67-54-31-13-7-25-45(54)46-26-8-14-32-55(46)67)61-64-62(68-56-33-15-9-27-47(56)48-28-10-16-34-57(48)68)66-63(65-61)69-58-35-17-11-29-49(58)50-30-12-18-36-59(50)69/h1-38H/b41-39-,42-40-,51-43-,52-44-
• InChIKey: UBIFSEXVPLTCQN-ILHHPAJHSA-N
• XLogP: 15.81
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.04
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole (CID 152880708) is 9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)-c1ccccc1-c1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2.

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

The InChIKey is UBIFSEXVPLTCQN-ILHHPAJHSA-N. The full InChI is InChI=1S/C63H38N6/c1-2-20-40-39(19-1)41-21-3-5-23-43(41)51-37-53(60(38-52(51)44-24-6-4-22-42(40)44)67-54-31-13-7-25-45(54)46-26-8-14-32-55(46)67)61-64-62(68-56-33-15-9-27-47(56)48-28-10-16-34-57(48)68)66-63(65-61)69-58-35-17-11-29-49(58)50-30-12-18-36-59(50)69/h1-38H/b41-39-,42-40-,51-43-,52-44-.

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

9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 879.04 g/mol, XLogP of 15.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 152880708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).