4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane

C197H255F3Ir4N8O8-4 — CID 157233058

About 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane (PubChem CID 157233058) has the molecular formula C197H255F3Ir4N8O8-4 and a molecular weight of 3689.12 g/mol. Its IUPAC name is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane.

Molecular Properties

• Compound Name: 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
• PubChem CID: 157233058
• Molecular Formula: C197H255F3Ir4N8O8-4
• Molecular Weight: 3689.12 g/mol
• Exact Mass: 3689.83
• IUPAC Name: 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
• SMILES: C.C.C.C.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)cc3)ncn2)[c-]c2ccccc12.CC(C)c1cc2cc(CC(C)(C)C)ccc2cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cc(-c2ccc(CC(C)(C)C)cc2)ccc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1cc2cc(CC(C)(C)C)ccc2cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C36H39N2.C36H37N2.C35H32F3N2.C34H35N2.4C13H24O2.4CH4.4Ir/c1-23(2)30-18-27-15-24(21-35(3,4)5)13-14-25(27)17-31(30)34-20-33(37-22-38-34)28-16-26-11-9-10-12-29(26)32(19-28)36(6,7)8;1-24-18-27(26-14-12-25(13-15-26)22-35(2,3)4)16-17-30(24)34-21-33(37-23-38-34)29-19-28-10-8-9-11-31(28)32(20-29)36(5,6)7;1-33(2,3)30-19-28(18-27-8-6-7-9-29(27)30)32-20-31(39-22-40-32)26-16-14-25(15-17-26)24-12-10-23(11-13-24)21-34(4,5)35(36,37)38;1-22-14-26-15-23(20-33(2,3)4)12-13-24(26)17-29(22)32-19-31(35-21-36-32)27-16-25-10-8-9-11-28(25)30(18-27)34(5,6)7;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;;;;/h9-15,17-20,22-23H,21H2,1-8H3;8-18,20-21,23H,22H2,1-7H3;6-17,19-20,22H,21H2,1-5H3;8-15,17-19,21H,20H2,1-7H3;4*9-11,14H,5-8H2,1-4H3;4*1H4;;;;/q4*-1
• InChIKey: UMSZJPGAMFMDNO-UHFFFAOYSA-N
• XLogP: 56.54
• TPSA: 252.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 44
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3689.12
LogP ≤ 5	56.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane?

The IUPAC name of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane (CID 157233058) is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane.

What is the SMILES notation for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane?

The canonical SMILES for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane is C.C.C.C.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)cc3)ncn2)[c-]c2ccccc12.CC(C)c1cc2cc(CC(C)(C)C)ccc2cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cc(-c2ccc(CC(C)(C)C)cc2)ccc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1cc2cc(CC(C)(C)C)ccc2cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane?

The InChIKey is UMSZJPGAMFMDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N2.C36H37N2.C35H32F3N2.C34H35N2.4C13H24O2.4CH4.4Ir/c1-23(2)30-18-27-15-24(21-35(3,4)5)13-14-25(27)17-31(30)34-20-33(37-22-38-34)28-16-26-11-9-10-12-29(26)32(19-28)36(6,7)8;1-24-18-27(26-14-12-25(13-15-26)22-35(2,3)4)16-17-30(24)34-21-33(37-23-38-34)29-19-28-10-8-9-11-31(28)32(20-29)36(5,6)7;1-33(2,3)30-19-28(18-27-8-6-7-9-29(27)30)32-20-31(39-22-40-32)26-16-14-25(15-17-26)24-12-10-23(11-13-24)21-34(4,5)35(36,37)38;1-22-14-26-15-23(20-33(2,3)4)12-13-24(26)17-29(22)32-19-31(35-21-36-32)27-16-25-10-8-9-11-28(25)30(18-27)34(5,6)7;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;;;;/h9-15,17-20,22-23H,21H2,1-8H3;8-18,20-21,23H,22H2,1-7H3;6-17,19-20,22H,21H2,1-5H3;8-15,17-19,21H,20H2,1-7H3;4*9-11,14H,5-8H2,1-4H3;4*1H4;;;;/q4*-1;;;;;;;;;;;;.

What are the key properties of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane?

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane has a molecular weight of 3689.12 g/mol, XLogP of 56.54, 44 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane is sourced from PubChem (CID 157233058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).