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

C77H45N5 — CID 88886986

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

9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 88886986) has the molecular formula C77H45N5 and a molecular weight of 1040.24 g/mol. Its IUPAC name is 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 88886986
• Molecular Formula: C77H45N5
• Molecular Weight: 1040.24 g/mol
• Exact Mass: 1039.37
• IUPAC Name: 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21
• InChI: InChI=1S/C77H45N5/c1-10-28-61-49(19-1)50-20-2-11-29-62(50)76(61)63-30-12-3-21-51(63)54-40-37-46(43-66(54)76)73-78-74(80-75(79-73)82-71-35-17-8-26-59(71)60-27-9-18-36-72(60)82)47-38-41-55-52-22-4-13-31-64(52)77(67(55)44-47)65-32-14-5-23-53(65)56-42-39-48(45-68(56)77)81-69-33-15-6-24-57(69)58-25-7-16-34-70(58)81/h1-45H
• InChIKey: PKNXYBCXCATHAT-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.24
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole (CID 88886986) is 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21.

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

The InChIKey is PKNXYBCXCATHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H45N5/c1-10-28-61-49(19-1)50-20-2-11-29-62(50)76(61)63-30-12-3-21-51(63)54-40-37-46(43-66(54)76)73-78-74(80-75(79-73)82-71-35-17-8-26-59(71)60-27-9-18-36-72(60)82)47-38-41-55-52-22-4-13-31-64(52)77(67(55)44-47)65-32-14-5-23-53(65)56-42-39-48(45-68(56)77)81-69-33-15-6-24-57(69)58-25-7-16-34-70(58)81/h1-45H.

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

9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1040.24 g/mol, XLogP of 18.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 88886986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).