7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)

C181H219F6Ir4N5O8S4-4 — CID 163847171

About 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)

7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium) (PubChem CID 163847171) has the molecular formula C181H219F6Ir4N5O8S4-4 and a molecular weight of 3604.90 g/mol. Its IUPAC name is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium).

Molecular Properties

• Compound Name: 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)
• PubChem CID: 163847171
• Molecular Formula: C181H219F6Ir4N5O8S4-4
• Molecular Weight: 3604.90 g/mol
• Exact Mass: 3605.43
• IUPAC Name: 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)
• SMILES: CC(C)C(O)=CC(=O)C(C)(C)C.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.Cc1c(-c2ccc(C(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1cc(CC2CCCC2)ccc1-c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1C.[2H]c1cnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2sc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)c(C)c12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C34H35N2S.2C33H31F3NS.C32H32NS.3C13H24O2.C10H18O2.4Ir/c1-21-16-24(17-23-10-6-7-11-23)14-15-27(21)32-22(2)30-33(37-32)31(36-20-35-30)26-18-25-12-8-9-13-28(25)29(19-26)34(3,4)5;2*1-20-25-15-16-37-28(24-17-23-9-7-8-10-26(23)27(18-24)31(2,3)4)30(25)38-29(20)22-13-11-21(12-14-22)19-32(5,6)33(34,35)36;1-20-25-16-17-33-28(23-18-22-10-8-9-11-26(22)27(19-23)32(5,6)7)30(25)34-29(20)21-12-14-24(15-13-21)31(2,3)4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-7(2)8(11)6-9(12)10(3,4)5;;;;/h8-9,12-16,19-20,23H,6-7,10-11,17H2,1-5H3;2*7-16,18H,19H2,1-6H3;8-17,19H,1-7H3;3*9-11,14H,5-8H2,1-4H3;6-7,11H,1-5H3;;;;/q4*-1;;;;;;;;/i;15D
• InChIKey: IIVKKLRCWKZFSU-YNGQVWPHSA-N
• XLogP: 54.05
• TPSA: 213.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3604.90
LogP ≤ 5	54.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)?

The IUPAC name of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium) (CID 163847171) is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium).

What is the SMILES notation for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)?

The canonical SMILES for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium) is CC(C)C(O)=CC(=O)C(C)(C)C.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.Cc1c(-c2ccc(C(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1cc(CC2CCCC2)ccc1-c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1C.[2H]c1cnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2sc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)c(C)c12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)?

The InChIKey is IIVKKLRCWKZFSU-YNGQVWPHSA-N. The full InChI is InChI=1S/C34H35N2S.2C33H31F3NS.C32H32NS.3C13H24O2.C10H18O2.4Ir/c1-21-16-24(17-23-10-6-7-11-23)14-15-27(21)32-22(2)30-33(37-32)31(36-20-35-30)26-18-25-12-8-9-13-28(25)29(19-26)34(3,4)5;2*1-20-25-15-16-37-28(24-17-23-9-7-8-10-26(23)27(18-24)31(2,3)4)30(25)38-29(20)22-13-11-21(12-14-22)19-32(5,6)33(34,35)36;1-20-25-16-17-33-28(23-18-22-10-8-9-11-26(22)27(19-23)32(5,6)7)30(25)34-29(20)21-12-14-24(15-13-21)31(2,3)4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-7(2)8(11)6-9(12)10(3,4)5;;;;/h8-9,12-16,19-20,23H,6-7,10-11,17H2,1-5H3;2*7-16,18H,19H2,1-6H3;8-17,19H,1-7H3;3*9-11,14H,5-8H2,1-4H3;6-7,11H,1-5H3;;;;/q4*-1;;;;;;;;/i;15D;;;;;;;;;;.

What are the key properties of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium)?

7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium) has a molecular weight of 3604.90 g/mol, XLogP of 54.05, 37 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-(cyclopentylmethyl)-2-methylphenyl]-7-methylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-deuterio-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tetrakis(iridium) is sourced from PubChem (CID 163847171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).