5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C69H42N8 — CID 88917477

About 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 88917477) has the molecular formula C69H42N8 and a molecular weight of 983.15 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
• PubChem CID: 88917477
• Molecular Formula: C69H42N8
• Molecular Weight: 983.15 g/mol
• Exact Mass: 982.35
• IUPAC Name: 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-n6c7ccccc7c7ccccc76)c5)c43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/C69H42N8/c1-3-20-43(21-4-1)67-70-68(72-69(71-67)77-60-36-17-11-30-51(60)54-39-38-53-50-29-9-15-34-58(50)75(65(53)66(54)77)44-22-5-2-6-23-44)76-59-35-16-10-28-49(59)52-40-41-62-63(64(52)76)55-31-12-18-37-61(55)74(62)46-25-19-24-45(42-46)73-56-32-13-7-26-47(56)48-27-8-14-33-57(48)73/h1-42H
• InChIKey: NRHIUGQNXVQLOZ-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 63.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.15
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The IUPAC name of 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 88917477) is 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-n6c7ccccc7c7ccccc76)c5)c43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.

What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The InChIKey is NRHIUGQNXVQLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N8/c1-3-20-43(21-4-1)67-70-68(72-69(71-67)77-60-36-17-11-30-51(60)54-39-38-53-50-29-9-15-34-58(50)75(65(53)66(54)77)44-22-5-2-6-23-44)76-59-35-16-10-28-49(59)52-40-41-62-63(64(52)76)55-31-12-18-37-61(55)74(62)46-25-19-24-45(42-46)73-56-32-13-7-26-47(56)48-27-8-14-33-57(48)73/h1-42H.

What are the key properties of 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 983.15 g/mol, XLogP of 17.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88917477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).