4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane

C181H217F6Ir4N5O8-4 — CID 158009594

About 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane (PubChem CID 158009594) has the molecular formula C181H217F6Ir4N5O8-4 and a molecular weight of 3473.61 g/mol. Its IUPAC name is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;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-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
• PubChem CID: 158009594
• Molecular Formula: C181H217F6Ir4N5O8-4
• Molecular Weight: 3473.61 g/mol
• Exact Mass: 3474.52
• IUPAC Name: 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
• SMILES: C.C.C.C.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)ncn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc4cc(C(F)(F)F)ccc4c3)ccn2)[c-]c2ccccc12.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.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C32H25F3N.C32H31N2.C31H26N.C30H23F3N.4C13H24O2.4CH4.4Ir/c1-31(2,3)29-19-26(18-25-6-4-5-7-28(25)29)30-20-24(16-17-36-30)23-10-8-21(9-11-23)22-12-14-27(15-13-22)32(33,34)35;1-31(2,3)27-17-23(15-21-11-7-9-13-25(21)27)29-19-30(34-20-33-29)24-16-22-12-8-10-14-26(22)28(18-24)32(4,5)6;1-31(2,3)29-20-27(19-26-11-7-8-12-28(26)29)30-21-25(17-18-32-30)24-15-13-23(14-16-24)22-9-5-4-6-10-22;1-29(2,3)27-17-24(15-23-6-4-5-7-26(23)27)28-18-22(12-13-34-28)19-8-9-21-16-25(30(31,32)33)11-10-20(21)14-19;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;;;;/h4-17,19-20H,1-3H3;7-15,17-20H,1-6H3;4-18,20-21H,1-3H3;4-14,16-18H,1-3H3;4*9-11,14H,5-8H2,1-4H3;4*1H4;;;;/q4*-1
• InChIKey: NHEZXGCPUVZSJO-UHFFFAOYSA-N
• XLogP: 53.05
• TPSA: 213.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 38
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3473.61
LogP ≤ 5	53.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;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-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane (CID 158009594) is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;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-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;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-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane is C.C.C.C.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)ncn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccc4cc(C(F)(F)F)ccc4c3)ccn2)[c-]c2ccccc12.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.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane?

The InChIKey is NHEZXGCPUVZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N.C32H31N2.C31H26N.C30H23F3N.4C13H24O2.4CH4.4Ir/c1-31(2,3)29-19-26(18-25-6-4-5-7-28(25)29)30-20-24(16-17-36-30)23-10-8-21(9-11-23)22-12-14-27(15-13-22)32(33,34)35;1-31(2,3)27-17-23(15-21-11-7-9-13-25(21)27)29-19-30(34-20-33-29)24-16-22-12-8-10-14-26(22)28(18-24)32(4,5)6;1-31(2,3)29-20-27(19-26-11-7-8-12-28(26)29)30-21-25(17-18-32-30)24-15-13-23(14-16-24)22-9-5-4-6-10-22;1-29(2,3)27-17-24(15-23-6-4-5-7-26(23)27)28-18-22(12-13-34-28)19-8-9-21-16-25(30(31,32)33)11-10-20(21)14-19;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;;;;/h4-17,19-20H,1-3H3;7-15,17-20H,1-6H3;4-18,20-21H,1-3H3;4-14,16-18H,1-3H3;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-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane?

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane has a molecular weight of 3473.61 g/mol, XLogP of 53.05, 38 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(trifluoromethyl)naphthalen-2-yl]pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane is sourced from PubChem (CID 158009594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).