2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C69H43N7 — CID 138599601

About 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 138599601) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 138599601
• Molecular Formula: C69H43N7
• Molecular Weight: 970.15 g/mol
• Exact Mass: 969.36
• IUPAC Name: 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4[nH]c4ccccc45)ccc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)n2)cc1
• InChI: InChI=1S/C69H43N7/c1-3-18-43(19-4-1)67-71-68(44-20-5-2-6-21-44)73-69(72-67)57-40-45(48-27-17-28-56-49-22-7-12-29-58(49)70-66(48)56)34-39-63(57)76-64-41-46(74-59-30-13-8-23-50(59)51-24-9-14-31-60(51)74)35-37-54(64)55-38-36-47(42-65(55)76)75-61-32-15-10-25-52(61)53-26-11-16-33-62(53)75/h1-42,70H
• InChIKey: XJDCBLZBKDXSHB-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 69.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.15
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The IUPAC name of 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 138599601) is 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

What is the SMILES notation for 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The canonical SMILES for 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4[nH]c4ccccc45)ccc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)n2)cc1.

What is the InChIKey of 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The InChIKey is XJDCBLZBKDXSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c1-3-18-43(19-4-1)67-71-68(44-20-5-2-6-21-44)73-69(72-67)57-40-45(48-27-17-28-56-49-22-7-12-29-58(49)70-66(48)56)34-39-63(57)76-64-41-46(74-59-30-13-8-23-50(59)51-24-9-14-31-60(51)74)35-37-54(64)55-38-36-47(42-65(55)76)75-61-32-15-10-25-52(61)53-26-11-16-33-62(53)75/h1-42,70H.

What are the key properties of 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 138599601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).