2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C106H67N12O+ — CID 90701212

About 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 90701212) has the molecular formula C106H67N12O+ and a molecular weight of 1524.79 g/mol. Its IUPAC name is 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
• PubChem CID: 90701212
• Molecular Formula: C106H67N12O+
• Molecular Weight: 1524.79 g/mol
• Exact Mass: 1523.56
• IUPAC Name: 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
• SMILES: c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)c(-c4ccc(-n5c(-c6ccccc6)n[n+](-c6cc7c8ccccc8n(-c8ccccc8)c7c7c6c6ccccc6n7-c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6)c5-c5ccccc5)c5ccccc45)c3)o2)cc1
• InChI: InChI=1S/C106H67N12O/c1-8-32-68(33-9-1)101-107-108-103(116(101)75-44-20-7-21-45-75)86-61-56-72(105-110-109-104(119-105)70-36-12-3-13-37-70)66-88(86)79-64-65-94(80-47-23-22-46-78(79)80)117-102(69-34-10-2-11-35-69)111-118(106(117)71-38-14-4-15-39-71)95-67-89-83-50-26-30-54-92(83)113(74-42-18-6-19-43-74)99(89)100-96(95)87-51-27-31-55-93(87)115(100)77-59-57-76(58-60-77)114-91-53-29-25-49-82(91)85-63-62-84-81-48-24-28-52-90(81)112(97(84)98(85)114)73-40-16-5-17-41-73/h1-67H/q+1
• InChIKey: WBCDGVAZHHFPBR-UHFFFAOYSA-N
• XLogP: 25.32
• TPSA: 111.05 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.79
LogP ≤ 5	25.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?

The IUPAC name of 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 90701212) is 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)c(-c4ccc(-n5c(-c6ccccc6)n[n+](-c6cc7c8ccccc8n(-c8ccccc8)c7c7c6c6ccccc6n7-c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6)c5-c5ccccc5)c5ccccc45)c3)o2)cc1.

What is the InChIKey of 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?

The InChIKey is WBCDGVAZHHFPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H67N12O/c1-8-32-68(33-9-1)101-107-108-103(116(101)75-44-20-7-21-45-75)86-61-56-72(105-110-109-104(119-105)70-36-12-3-13-37-70)66-88(86)79-64-65-94(80-47-23-22-46-78(79)80)117-102(69-34-10-2-11-35-69)111-118(106(117)71-38-14-4-15-39-71)95-67-89-83-50-26-30-54-92(83)113(74-42-18-6-19-43-74)99(89)100-96(95)87-51-27-31-55-93(87)115(100)77-59-57-76(58-60-77)114-91-53-29-25-49-82(91)85-63-62-84-81-48-24-28-52-90(81)112(97(84)98(85)114)73-40-16-5-17-41-73/h1-67H/q+1.

What are the key properties of 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?

2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1524.79 g/mol, XLogP of 25.32, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[3,5-diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 90701212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).