5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

C81H55N7 — CID 126632761

About 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 126632761) has the molecular formula C81H55N7 and a molecular weight of 1126.38 g/mol. Its IUPAC name is 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
• PubChem CID: 126632761
• Molecular Formula: C81H55N7
• Molecular Weight: 1126.38 g/mol
• Exact Mass: 1125.45
• IUPAC Name: 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)nc(-n6c7ccccc7c7c8c(ccc76)-c6ccccc6C8(C)C)n5)c4c3)cc21
• InChI: InChI=1S/C81H55N7/c1-80(2)64-28-14-8-22-53(64)55-38-34-49(45-66(55)80)51-36-40-60-57-25-11-18-32-69(57)88(74(60)47-51)79-83-77(86-70-33-19-13-27-62(70)75-72(86)43-41-61-54-23-9-15-29-65(54)81(3,4)76(61)75)82-78(84-79)87-68-31-17-10-24-56(68)59-39-35-50(46-73(59)87)48-37-42-71-63(44-48)58-26-12-16-30-67(58)85(71)52-20-6-5-7-21-52/h5-47H,1-4H3
• InChIKey: MMQRTDVSEDZCCF-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.38
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?

The IUPAC name of 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole (CID 126632761) is 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole.

What is the SMILES notation for 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?

The canonical SMILES for 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)nc(-n6c7ccccc7c7c8c(ccc76)-c6ccccc6C8(C)C)n5)c4c3)cc21.

What is the InChIKey of 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?

The InChIKey is MMQRTDVSEDZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H55N7/c1-80(2)64-28-14-8-22-53(64)55-38-34-49(45-66(55)80)51-36-40-60-57-25-11-18-32-69(57)88(74(60)47-51)79-83-77(86-70-33-19-13-27-62(70)75-72(86)43-41-61-54-23-9-15-29-65(54)81(3,4)76(61)75)82-78(84-79)87-68-31-17-10-24-56(68)59-39-35-50(46-73(59)87)48-37-42-71-63(44-48)58-26-12-16-30-67(58)85(71)52-20-6-5-7-21-52/h5-47H,1-4H3.

What are the key properties of 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?

5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 1126.38 g/mol, XLogP of 20.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 126632761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).