1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one

C224H275F15Ir5N5O11S3Si-5 — CID 159675744

About 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one

1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one (PubChem CID 159675744) has the molecular formula C224H275F15Ir5N5O11S3Si-5 and a molecular weight of 4584.03 g/mol. Its IUPAC name is 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one.

Molecular Properties

• Compound Name: 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
• PubChem CID: 159675744
• Molecular Formula: C224H275F15Ir5N5O11S3Si-5
• Molecular Weight: 4584.03 g/mol
• Exact Mass: 4584.80
• IUPAC Name: 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
• SMILES: CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)CC(=O)C=C(O)C(F)(F)F.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.[CH2-]c1c(-c2c3c(cc[n+]2[CH2-])-c2cccc(CC(C)C)c2[Si]3(C)C)cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3oc4c(CC(C)C)cccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3sc4c(CCC(C(F)(F)F)C(F)(F)F)cccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3sc4cc(CC(C)(C)C(F)(F)F)ccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3sc4cc(CC(C)(C)C(F)(F)F)ccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C33H38NSi.C32H28F6NS.2C32H31F3NS.C31H32NO.C17H32O2.3C13H24O2.C8H11F3O2.5Ir/c1-21(2)19-23-13-12-16-26-27-17-18-34(7)30(32(27)35(8,9)31(23)26)28-20-29(33(4,5)6)25-15-11-10-14-24(25)22(28)3;1-18-20-10-6-7-11-21(20)25(30(2,3)4)17-24(18)27-29-23(15-16-39(27)5)22-12-8-9-19(28(22)40-29)13-14-26(31(33,34)35)32(36,37)38;2*1-19-21-10-8-9-11-22(21)26(30(2,3)4)17-25(19)28-29-24(14-15-36(28)7)23-13-12-20(16-27(23)37-29)18-31(5,6)32(33,34)35;1-19(2)17-21-11-10-14-24-25-15-16-32(7)28(30(25)33-29(21)24)26-18-27(31(4,5)6)23-13-9-8-12-22(23)20(26)3;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-5(2)3-6(12)4-7(13)8(9,10)11;;;;;/h10-18,20-21H,3,7,19H2,1-2,4-6,8-9H3;6-12,15-17,26H,1,5,13-14H2,2-4H3;2*8-17H,1,7,18H2,2-6H3;8-16,18-19H,3,7,17H2,1-2,4-6H3;9-13,16-18H,1-8H3;3*9-11,14H,5-8H2,1-4H3;4-5,13H,3H2,1-2H3;;;;;/q5*-1
• InChIKey: QPVLGDAAGCNOMI-UHFFFAOYSA-N
• XLogP: 62.76
• TPSA: 219.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 47
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4584.03
LogP ≤ 5	62.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

The IUPAC name of 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one (CID 159675744) is 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one.

What is the SMILES notation for 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

The canonical SMILES for 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one is CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)CC(=O)C=C(O)C(F)(F)F.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.[CH2-]c1c(-c2c3c(cc[n+]2[CH2-])-c2cccc(CC(C)C)c2[Si]3(C)C)cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3oc4c(CC(C)C)cccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3sc4c(CCC(C(F)(F)F)C(F)(F)F)cccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3sc4cc(CC(C)(C)C(F)(F)F)ccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[CH2-]c1c(-c2c3sc4cc(CC(C)(C)C(F)(F)F)ccc4c3cc[n+]2[CH2-])cc(C(C)(C)C)c2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

The InChIKey is QPVLGDAAGCNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38NSi.C32H28F6NS.2C32H31F3NS.C31H32NO.C17H32O2.3C13H24O2.C8H11F3O2.5Ir/c1-21(2)19-23-13-12-16-26-27-17-18-34(7)30(32(27)35(8,9)31(23)26)28-20-29(33(4,5)6)25-15-11-10-14-24(25)22(28)3;1-18-20-10-6-7-11-21(20)25(30(2,3)4)17-24(18)27-29-23(15-16-39(27)5)22-12-8-9-19(28(22)40-29)13-14-26(31(33,34)35)32(36,37)38;2*1-19-21-10-8-9-11-22(21)26(30(2,3)4)17-25(19)28-29-24(14-15-36(28)7)23-13-12-20(16-27(23)37-29)18-31(5,6)32(33,34)35;1-19(2)17-21-11-10-14-24-25-15-16-32(7)28(30(25)33-29(21)24)26-18-27(31(4,5)6)23-13-9-8-12-22(23)20(26)3;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-5(2)3-6(12)4-7(13)8(9,10)11;;;;;/h10-18,20-21H,3,7,19H2,1-2,4-6,8-9H3;6-12,15-17,26H,1,5,13-14H2,2-4H3;2*8-17H,1,7,18H2,2-6H3;8-16,18-19H,3,7,17H2,1-2,4-6H3;9-13,16-18H,1-8H3;3*9-11,14H,5-8H2,1-4H3;4-5,13H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one has a molecular weight of 4584.03 g/mol, XLogP of 62.76, 47 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one is sourced from PubChem (CID 159675744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).