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

C69H42N6O — CID 155232439

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

3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 155232439) has the molecular formula C69H42N6O and a molecular weight of 971.14 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 155232439
• Molecular Formula: C69H42N6O
• Molecular Weight: 971.14 g/mol
• Exact Mass: 970.34
• IUPAC Name: 3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)ccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
• InChI: InChI=1S/C69H42N6O/c1-3-18-43(19-4-1)67-70-68(44-20-5-2-6-21-44)72-69(71-67)56-40-45(48-27-17-33-65-66(48)53-26-11-16-32-64(53)76-65)34-37-63(56)75-61-38-35-46(73-57-28-12-7-22-49(57)50-23-8-13-29-58(50)73)41-54(61)55-42-47(36-39-62(55)75)74-59-30-14-9-24-51(59)52-25-10-15-31-60(52)74/h1-42H
• InChIKey: LUUJNHHOLYLWBV-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.14
LogP ≤ 5	17.73
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-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The IUPAC name of 3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 155232439) is 3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)ccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.

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

The InChIKey is LUUJNHHOLYLWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6O/c1-3-18-43(19-4-1)67-70-68(44-20-5-2-6-21-44)72-69(71-67)56-40-45(48-27-17-33-65-66(48)53-26-11-16-32-64(53)76-65)34-37-63(56)75-61-38-35-46(73-57-28-12-7-22-49(57)50-23-8-13-29-58(50)73)41-54(61)55-42-47(36-39-62(55)75)74-59-30-14-9-24-51(59)52-25-10-15-31-60(52)74/h1-42H.

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

3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 971.14 g/mol, XLogP of 17.73, 7 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-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155232439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).