5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium

C87H58N7+ — CID 158587758

About 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium

5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 158587758) has the molecular formula C87H58N7+ and a molecular weight of 1201.47 g/mol. Its IUPAC name is 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

• Compound Name: 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium
• PubChem CID: 158587758
• Molecular Formula: C87H58N7+
• Molecular Weight: 1201.47 g/mol
• Exact Mass: 1200.47
• IUPAC Name: 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7c7ccccc7c6cc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.c1ccc2c(c1)C[n+]1ccccc1-2
• InChI: InChI=1S/C45H28N4.C30H20N2.C12H10N/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)31-18-13-19-32(26-31)49-41-25-12-11-24-37(41)40-27-38-35-22-9-7-20-33(35)34-21-8-10-23-36(34)39(38)28-42(40)49;1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-20-30-26(19-29(25)31)24-16-8-10-18-28(24)32(30)22-13-5-2-6-14-22;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13/h1-28H;1-20H;1-8H,9H2/q;;+1
• InChIKey: UXRKQKAPYAGAHD-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 57.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.47
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium?

The IUPAC name of 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium (CID 158587758) is 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium.

What is the SMILES notation for 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium?

The canonical SMILES for 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7c7ccccc7c6cc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.c1ccc2c(c1)C[n+]1ccccc1-2.

What is the InChIKey of 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium?

The InChIKey is UXRKQKAPYAGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4.C30H20N2.C12H10N/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)31-18-13-19-32(26-31)49-41-25-12-11-24-37(41)40-27-38-35-22-9-7-20-33(35)34-21-8-10-23-36(34)39(38)28-42(40)49;1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-20-30-26(19-29(25)31)24-16-8-10-18-28(24)32(30)22-13-5-2-6-14-22;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13/h1-28H;1-20H;1-8H,9H2/q;;+1.

What are the key properties of 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium?

5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 1201.47 g/mol, XLogP of 21.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-diphenylindolo[3,2-b]carbazole;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 158587758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).