7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide

C148H164Ir6N12 — CID 158123757

About 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide

7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 158123757) has the molecular formula C148H164Ir6N12 and a molecular weight of 3264.33 g/mol. Its IUPAC name is 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

• Compound Name: 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
• PubChem CID: 158123757
• Molecular Formula: C148H164Ir6N12
• Molecular Weight: 3264.33 g/mol
• Exact Mass: 3267.10
• IUPAC Name: 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
• SMILES: CC(C)(C)c1c[c-]c2c(c1)c1cc(C(C)(C)C)ccc1n1ccnc21.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3c4ccc[c-]c4c4nccn4c23)cc1.CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)c(C(C)C)c1.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1nccn12.Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1cccc2c1c1nccn1c1ccc(C3CCCCC3)cc21
• InChI: InChI=1S/C30H31N2.C29H29N2.C23H25N2.C21H19N2.C17H13N2.C16H11N2.12CH3.6Ir/c1-18(2)22-16-25(19(3)4)29(26(17-22)20(5)6)21-11-12-28-27(15-21)23-9-7-8-10-24(23)30-31-13-14-32(28)30;1-28(2,3)20-13-11-19(12-14-20)24-17-21(29(4,5)6)18-25-22-9-7-8-10-23(22)27-30-15-16-31(27)26(24)25;1-22(2,3)15-7-9-17-18(13-15)19-14-16(23(4,5)6)8-10-20(19)25-12-11-24-21(17)25;1-2-6-15(7-3-1)16-10-11-20-19(14-16)17-8-4-5-9-18(17)21-22-12-13-23(20)21;1-11-9-12(2)16-15(10-11)13-5-3-4-6-14(13)17-18-7-8-19(16)17;1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;;;;;;;;;;;;;;;;;;/h7-9,11-20H,1-6H3;7-9,11-18H,1-6H3;7-8,10-14H,1-6H3;4-5,8,10-15H,1-3,6-7H2;3-5,7-10H,1-2H3;2-4,6-10H,1H3;12*1H3;;;;;;/q18*-1;6*+3
• InChIKey: ASQYZRYEMGLPDB-UHFFFAOYSA-N
• XLogP: 40.90
• TPSA: 103.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3264.33
LogP ≤ 5	40.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?

The IUPAC name of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 158123757) is 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide.

What is the SMILES notation for 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?

The canonical SMILES for 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide is CC(C)(C)c1c[c-]c2c(c1)c1cc(C(C)(C)C)ccc1n1ccnc21.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3c4ccc[c-]c4c4nccn4c23)cc1.CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)c(C(C)C)c1.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1nccn12.Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1cccc2c1c1nccn1c1ccc(C3CCCCC3)cc21.

What is the InChIKey of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?

The InChIKey is ASQYZRYEMGLPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2.C29H29N2.C23H25N2.C21H19N2.C17H13N2.C16H11N2.12CH3.6Ir/c1-18(2)22-16-25(19(3)4)29(26(17-22)20(5)6)21-11-12-28-27(15-21)23-9-7-8-10-24(23)30-31-13-14-32(28)30;1-28(2,3)20-13-11-19(12-14-20)24-17-21(29(4,5)6)18-25-22-9-7-8-10-23(22)27-30-15-16-31(27)26(24)25;1-22(2,3)15-7-9-17-18(13-15)19-14-16(23(4,5)6)8-10-20(19)25-12-11-24-21(17)25;1-2-6-15(7-3-1)16-10-11-20-19(14-16)17-8-4-5-9-18(17)21-22-12-13-23(20)21;1-11-9-12(2)16-15(10-11)13-5-3-4-6-14(13)17-18-7-8-19(16)17;1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;;;;;;;;;;;;;;;;;;/h7-9,11-20H,1-6H3;7-9,11-18H,1-6H3;7-8,10-14H,1-6H3;4-5,8,10-15H,1-3,6-7H2;3-5,7-10H,1-2H3;2-4,6-10H,1H3;12*1H3;;;;;;/q18*-1;6*+3.

What are the key properties of 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide?

7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 3264.33 g/mol, XLogP of 40.90, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 158123757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).