2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile

C100H76N15+5 — CID 157398688

About 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile

2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile (PubChem CID 157398688) has the molecular formula C100H76N15+5 and a molecular weight of 1487.81 g/mol. Its IUPAC name is 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile.

Molecular Properties

• Compound Name: 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile
• PubChem CID: 157398688
• Molecular Formula: C100H76N15+5
• Molecular Weight: 1487.81 g/mol
• Exact Mass: 1486.64
• IUPAC Name: 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile
• SMILES: Cc1c(C)c(C)c2c(c1C)C[n+]1cc3c(C#N)cccc3n1-2.Cc1cc(C)c2c(c1C)-n1c3cccc(C#N)c3c[n+]1C2.N#Cc1cccc2c1c[n+]1n2-c2c(cccc2-c2ccccc2)C1.N#Cc1cccc2c1c[n+]1n2-c2cc(-c3ccccc3)ccc2C1.N#Cc1cccc2c1c[n+]1n2-c2ccc(-c3ccccc3)cc2C1
• InChI: InChI=1S/3C21H14N3.C19H18N3.C18H16N3/c22-12-16-8-5-11-20-19(16)14-23-13-17-9-4-10-18(21(17)24(20)23)15-6-2-1-3-7-15;22-12-17-7-4-8-21-19(17)14-23-13-18-11-16(9-10-20(18)24(21)23)15-5-2-1-3-6-15;22-12-17-7-4-8-20-19(17)14-23-13-18-10-9-16(11-21(18)24(20)23)15-5-2-1-3-6-15;1-11-12(2)14(4)19-16(13(11)3)9-21-10-17-15(8-20)6-5-7-18(17)22(19)21;1-11-7-12(2)15-9-20-10-16-14(8-19)5-4-6-17(16)21(20)18(15)13(11)3/h3*1-11,14H,13H2;5-7,10H,9H2,1-4H3;4-7,10H,9H2,1-3H3/q5*+1
• InChIKey: HNSMJYAYXFSUES-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 163.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1487.81
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile?

The IUPAC name of 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile (CID 157398688) is 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile.

What is the SMILES notation for 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile?

The canonical SMILES for 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile is Cc1c(C)c(C)c2c(c1C)C[n+]1cc3c(C#N)cccc3n1-2.Cc1cc(C)c2c(c1C)-n1c3cccc(C#N)c3c[n+]1C2.N#Cc1cccc2c1c[n+]1n2-c2c(cccc2-c2ccccc2)C1.N#Cc1cccc2c1c[n+]1n2-c2cc(-c3ccccc3)ccc2C1.N#Cc1cccc2c1c[n+]1n2-c2ccc(-c3ccccc3)cc2C1.

What is the InChIKey of 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile?

The InChIKey is HNSMJYAYXFSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H14N3.C19H18N3.C18H16N3/c22-12-16-8-5-11-20-19(16)14-23-13-17-9-4-10-18(21(17)24(20)23)15-6-2-1-3-7-15;22-12-17-7-4-8-21-19(17)14-23-13-18-11-16(9-10-20(18)24(21)23)15-5-2-1-3-6-15;22-12-17-7-4-8-20-19(17)14-23-13-18-10-9-16(11-21(18)24(20)23)15-5-2-1-3-6-15;1-11-12(2)14(4)19-16(13(11)3)9-21-10-17-15(8-20)6-5-7-18(17)22(19)21;1-11-7-12(2)15-9-20-10-16-14(8-19)5-4-6-17(16)21(20)18(15)13(11)3/h3*1-11,14H,13H2;5-7,10H,9H2,1-4H3;4-7,10H,9H2,1-3H3/q5*+1.

What are the key properties of 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile?

2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile has a molecular weight of 1487.81 g/mol, XLogP of 17.92, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-phenyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;6-phenyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;1,2,3,4-tetramethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;1,3,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile is sourced from PubChem (CID 157398688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).