2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole

C81H54N6 — CID 153304562

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

2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole (PubChem CID 153304562) has the molecular formula C81H54N6 and a molecular weight of 1111.37 g/mol. Its IUPAC name is 2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
• PubChem CID: 153304562
• Molecular Formula: C81H54N6
• Molecular Weight: 1111.37 g/mol
• Exact Mass: 1110.44
• IUPAC Name: 2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
• SMILES: c1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(-c4ccc(-c5ccccc5)cc4)c3)=N2)cc1
• InChI: InChI=1S/C81H54N6/c1-5-21-53(22-6-1)55-37-41-57(42-38-55)69-49-61(81-83-79(59-25-9-3-10-26-59)82-80(84-81)60-27-11-4-12-28-60)50-70(58-43-39-56(40-44-58)54-23-7-2-8-24-54)78(69)87-76-48-46-62(85-72-33-17-13-29-64(72)65-30-14-18-34-73(65)85)51-71(76)68-47-45-63(52-77(68)87)86-74-35-19-15-31-66(74)67-32-16-20-36-75(67)86/h1-52,79H,(H,82,83,84)
• InChIKey: FUWPCCPBJCIYTF-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 51.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.37
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole (CID 153304562) is 2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole.

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

The canonical SMILES for 2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(-c4ccc(-c5ccccc5)cc4)c3)=N2)cc1.

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

The InChIKey is FUWPCCPBJCIYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H54N6/c1-5-21-53(22-6-1)55-37-41-57(42-38-55)69-49-61(81-83-79(59-25-9-3-10-26-59)82-80(84-81)60-27-11-4-12-28-60)50-70(58-43-39-56(40-44-58)54-23-7-2-8-24-54)78(69)87-76-48-46-62(85-72-33-17-13-29-64(72)65-30-14-18-34-73(65)85)51-71(76)68-47-45-63(52-77(68)87)86-74-35-19-15-31-66(74)67-32-16-20-36-75(67)86/h1-52,79H,(H,82,83,84).

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

2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole has a molecular weight of 1111.37 g/mol, XLogP of 20.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 153304562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).