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

C81H51N7 — CID 88878795

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

3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole (PubChem CID 88878795) has the molecular formula C81H51N7 and a molecular weight of 1122.35 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
• PubChem CID: 88878795
• Molecular Formula: C81H51N7
• Molecular Weight: 1122.35 g/mol
• Exact Mass: 1121.42
• IUPAC Name: 3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C81H51N7/c1-5-21-52(22-6-1)57-45-58(53-23-7-2-8-24-53)47-59(46-57)56-37-41-77-67(48-56)68-49-62(40-44-78(68)88(77)81-83-79(54-25-9-3-10-26-54)82-80(84-81)55-27-11-4-12-28-55)87-75-42-38-60(85-71-33-17-13-29-63(71)64-30-14-18-34-72(64)85)50-69(75)70-51-61(39-43-76(70)87)86-73-35-19-15-31-65(73)66-32-16-20-36-74(66)86/h1-51H
• InChIKey: SGDCWNYLZFRNHO-UHFFFAOYSA-N
• XLogP: 20.59
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1122.35
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole (CID 88878795) is 3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole.

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

The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.

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

The InChIKey is SGDCWNYLZFRNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51N7/c1-5-21-52(22-6-1)57-45-58(53-23-7-2-8-24-53)47-59(46-57)56-37-41-77-67(48-56)68-49-62(40-44-78(68)88(77)81-83-79(54-25-9-3-10-26-54)82-80(84-81)55-27-11-4-12-28-55)87-75-42-38-60(85-71-33-17-13-29-63(71)64-30-14-18-34-72(64)85)50-69(75)70-51-61(39-43-76(70)87)86-73-35-19-15-31-65(73)66-32-16-20-36-74(66)86/h1-51H.

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

3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole has a molecular weight of 1122.35 g/mol, XLogP of 20.59, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 88878795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).