2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide

C145H137Ir5N24O2-9 — CID 159863034

About 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide (PubChem CID 159863034) has the molecular formula C145H137Ir5N24O2-9 and a molecular weight of 3208.94 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide
• PubChem CID: 159863034
• Molecular Formula: C145H137Ir5N24O2-9
• Molecular Weight: 3208.94 g/mol
• Exact Mass: 3210.96
• IUPAC Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide
• SMILES: CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)CCCC(O)CC(O)CCCC(C)C.CC(C)c1cc(-c2[c-]cccc2)ncn1.CCCc1cccc2c3ccc[c-]c3c3ncncc3c12.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1ncnc2c3[c-]cccc3c3cc(C(C)(C)C)ccc3c12.Cc1ncnc2c3[c-]cccc3c3ccccc3c12.Cc1ncnc2c3[c-]cccc3c3ccccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1ncncc1c1ccccc21
• InChI: InChI=1S/C21H19N2.C19H15N2.2C17H11N2.C16H9N2.C15H32O2.C13H13N2.C11H13N4.2C8H7N4.5Ir/c1-13-19-16-10-9-14(21(2,3)4)11-18(16)15-7-5-6-8-17(15)20(19)23-12-22-13;1-2-6-13-7-5-10-15-14-8-3-4-9-16(14)19-17(18(13)15)11-20-12-21-19;2*1-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)19-10-18-11;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-17-10-18-16;1-12(2)7-5-9-14(16)11-15(17)10-6-8-13(3)4;1-10(2)12-8-13(15-9-14-12)11-6-4-3-5-7-11;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;2*1-6-10-8(12-11-6)7-4-2-3-5-9-7;;;;;/h5-7,9-12H,1-4H3;3-5,7-8,10-12H,2,6H2,1H3;2*2-8,10H,1H3;1-7,9-10H;12-17H,5-11H2,1-4H3;3-6,8-10H,1-2H3;4-7H,1-3H3;2*2-5H,1H3;;;;;/q5*-1;;4*-1
• InChIKey: RSSTYAXGFCZSMM-UHFFFAOYSA-N
• XLogP: 32.06
• TPSA: 353.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3208.94
LogP ≤ 5	32.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide?

The IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide (CID 159863034) is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide.

What is the SMILES notation for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide?

The canonical SMILES for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide is CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)CCCC(O)CC(O)CCCC(C)C.CC(C)c1cc(-c2[c-]cccc2)ncn1.CCCc1cccc2c3ccc[c-]c3c3ncncc3c12.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1ncnc2c3[c-]cccc3c3cc(C(C)(C)C)ccc3c12.Cc1ncnc2c3[c-]cccc3c3ccccc3c12.Cc1ncnc2c3[c-]cccc3c3ccccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1ncncc1c1ccccc21.

What is the InChIKey of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide?

The InChIKey is RSSTYAXGFCZSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2.C19H15N2.2C17H11N2.C16H9N2.C15H32O2.C13H13N2.C11H13N4.2C8H7N4.5Ir/c1-13-19-16-10-9-14(21(2,3)4)11-18(16)15-7-5-6-8-17(15)20(19)23-12-22-13;1-2-6-13-7-5-10-15-14-8-3-4-9-16(14)19-17(18(13)15)11-20-12-21-19;2*1-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)19-10-18-11;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-17-10-18-16;1-12(2)7-5-9-14(16)11-15(17)10-6-8-13(3)4;1-10(2)12-8-13(15-9-14-12)11-6-4-3-5-7-11;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;2*1-6-10-8(12-11-6)7-4-2-3-5-9-7;;;;;/h5-7,9-12H,1-4H3;3-5,7-8,10-12H,2,6H2,1H3;2*2-8,10H,1H3;1-7,9-10H;12-17H,5-11H2,1-4H3;3-6,8-10H,1-2H3;4-7H,1-3H3;2*2-5H,1H3;;;;;/q5*-1;;4*-1;;;;;.

What are the key properties of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide?

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide has a molecular weight of 3208.94 g/mol, XLogP of 32.06, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;7-tert-butyl-4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide;2,12-dimethyltridecane-6,8-diol;pentakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(4-methyl-12H-phenanthro[9,10-d]pyrimidin-12-ide);12H-phenanthro[9,10-d]pyrimidin-12-ide;4-phenyl-6-propan-2-ylpyrimidine;5-propyl-12H-phenanthro[9,10-d]pyrimidin-12-ide is sourced from PubChem (CID 159863034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).