4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

C90H54N10Si — CID 140825308

About 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (PubChem CID 140825308) has the molecular formula C90H54N10Si and a molecular weight of 1305.59 g/mol. Its IUPAC name is 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
• PubChem CID: 140825308
• Molecular Formula: C90H54N10Si
• Molecular Weight: 1305.59 g/mol
• Exact Mass: 1304.44
• IUPAC Name: 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
• SMILES: [2H]c1cccc2c3c(ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n(-c3ccc4c(c3)[Si]3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c6cccc([2H])c65)cc43)c12
• InChI: InChI=1S/C90H54N10Si/c1-5-25-55(26-6-1)85-91-86(56-27-7-2-8-28-56)94-89(93-85)99-71-39-19-13-33-61(71)67-49-51-75-81(83(67)99)69-37-15-21-41-73(69)97(75)59-45-47-65-63-35-17-23-43-77(63)101(79(65)53-59)78-44-24-18-36-64(78)66-48-46-60(54-80(66)101)98-74-42-22-16-38-70(74)82-76(98)52-50-68-62-34-14-20-40-72(62)100(84(68)82)90-95-87(57-29-9-3-10-30-57)92-88(96-90)58-31-11-4-12-32-58/h1-54H/i41D,42D
• InChIKey: AGGNHFBFHHWQEF-RHDBGVRGSA-N
• XLogP: 18.45
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.59
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The IUPAC name of 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (CID 140825308) is 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is [2H]c1cccc2c3c(ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n(-c3ccc4c(c3)[Si]3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c6cccc([2H])c65)cc43)c12.

What is the InChIKey of 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The InChIKey is AGGNHFBFHHWQEF-RHDBGVRGSA-N. The full InChI is InChI=1S/C90H54N10Si/c1-5-25-55(26-6-1)85-91-86(56-27-7-2-8-28-56)94-89(93-85)99-71-39-19-13-33-61(71)67-49-51-75-81(83(67)99)69-37-15-21-41-73(69)97(75)59-45-47-65-63-35-17-23-43-77(63)101(79(65)53-59)78-44-24-18-36-64(78)66-48-46-60(54-80(66)101)98-74-42-22-16-38-70(74)82-76(98)52-50-68-62-34-14-20-40-72(62)100(84(68)82)90-95-87(57-29-9-3-10-30-57)92-88(96-90)58-31-11-4-12-32-58/h1-54H/i41D,42D.

What are the key properties of 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 1305.59 g/mol, XLogP of 18.45, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-deuterio-5-[3'-[4-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 140825308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).