12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole

C70H42N6 — CID 88887018

About 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole

12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 88887018) has the molecular formula C70H42N6 and a molecular weight of 967.15 g/mol. Its IUPAC name is 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
• PubChem CID: 88887018
• Molecular Formula: C70H42N6
• Molecular Weight: 967.15 g/mol
• Exact Mass: 966.35
• IUPAC Name: 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
• InChI: InChI=1S/C70H42N6/c1-3-19-43(20-4-1)67-71-68(73-69(72-67)76-62-33-17-11-27-53(62)54-39-40-64-65(66(54)76)55-28-12-18-34-63(55)74(64)45-21-5-2-6-22-45)44-35-37-49-47-23-7-13-29-56(47)70(58(49)41-44)57-30-14-8-24-48(57)50-38-36-46(42-59(50)70)75-60-31-15-9-25-51(60)52-26-10-16-32-61(52)75/h1-42H
• InChIKey: QKUCRKQTKIJYPL-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.15
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?

The IUPAC name of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (CID 88887018) is 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.

What is the InChIKey of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?

The InChIKey is QKUCRKQTKIJYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N6/c1-3-19-43(20-4-1)67-71-68(73-69(72-67)76-62-33-17-11-27-53(62)54-39-40-64-65(66(54)76)55-28-12-18-34-63(55)74(64)45-21-5-2-6-22-45)44-35-37-49-47-23-7-13-29-56(47)70(58(49)41-44)57-30-14-8-24-48(57)50-38-36-46(42-59(50)70)75-60-31-15-9-25-51(60)52-26-10-16-32-61(52)75/h1-42H.

What are the key properties of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?

12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 967.15 g/mol, XLogP of 16.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 88887018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).