2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol

C116H120Ir4N12O4-6 — CID 158996427

About 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol (PubChem CID 158996427) has the molecular formula C116H120Ir4N12O4-6 and a molecular weight of 2515.18 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol
• PubChem CID: 158996427
• Molecular Formula: C116H120Ir4N12O4-6
• Molecular Weight: 2515.18 g/mol
• Exact Mass: 2516.81
• IUPAC Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol
• SMILES: CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)C(O)CC(O)C(C)C.CC(O)CC(C)O.Cc1cccc(C)c1-c1ccnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)c1.Cc1cccc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.Cc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H24N.C19H16N.2C18H14N.C11H13N4.C9H20O2.C8H7N4.C5H12O2.4Ir/c1-18-8-7-9-19(2)27(18)21-14-15-29-26(17-21)20-12-13-23-22-10-5-6-11-24(22)28(3,4)25(23)16-20;1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;2*1-14-7-5-6-10-17(14)16-11-12-19-18(13-16)15-8-3-2-4-9-15;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;1-6(2)8(10)5-9(11)7(3)4;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-4(6)3-5(2)7;;;;/h5-11,13-17H,1-4H3;3-9,11-13H,1-2H3;2*2-8,10-13H,1H3;4-7H,1-3H3;6-11H,5H2,1-4H3;2-5H,1H3;4-7H,3H2,1-2H3;;;;/q5*-1;;-1
• InChIKey: PFRLGBMFIHFJAS-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 238.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.18
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol?

The IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol (CID 158996427) is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol.

What is the SMILES notation for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol?

The canonical SMILES for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol is CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)C(O)CC(O)C(C)C.CC(O)CC(C)O.Cc1cccc(C)c1-c1ccnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)c1.Cc1cccc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.Cc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol?

The InChIKey is PFRLGBMFIHFJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N.C19H16N.2C18H14N.C11H13N4.C9H20O2.C8H7N4.C5H12O2.4Ir/c1-18-8-7-9-19(2)27(18)21-14-15-29-26(17-21)20-12-13-23-22-10-5-6-11-24(22)28(3,4)25(23)16-20;1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;2*1-14-7-5-6-10-17(14)16-11-12-19-18(13-16)15-8-3-2-4-9-15;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;1-6(2)8(10)5-9(11)7(3)4;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-4(6)3-5(2)7;;;;/h5-11,13-17H,1-4H3;3-9,11-13H,1-2H3;2*2-8,10-13H,1H3;4-7H,1-3H3;6-11H,5H2,1-4H3;2-5H,1H3;4-7H,3H2,1-2H3;;;;/q5*-1;;-1;;;;;.

What are the key properties of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol?

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol has a molecular weight of 2515.18 g/mol, XLogP of 25.16, 16 rotatable bonds, 4 hydrogen bond donors, and 14 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;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)pyridine;2,6-dimethylheptane-3,5-diol;4-(2,6-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(4-(2-methylphenyl)-2-phenylpyridine);pentane-2,4-diol is sourced from PubChem (CID 158996427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).