bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)

C202H264Ir4N4O8S4-4 — CID 157473759

IUPACbis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2nccc3c2sc2cc(C4CCC5(CCCCC5)CC4)ccc23)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3c2sc2cc(C4CCC5(CCCCC5)CC4)ccc23)[c-]c2ccccc12.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC1(C)CC(c2ccc3c(c2)sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC(C)(C)C1.CC1(C)CC(c2ccc3c(c2)sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC(C)(C)C1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C36H38NS.2C35H38NS.C17H32O2.2C15H28O2.C13H24O2.4Ir/c2*1-35(2,3)31-22-27(21-26-9-5-6-10-28(26)31)33-34-30(15-20-37-33)29-12-11-25(23-32(29)38-34)24-13-18-36(19-14-24)16-7-4-8-17-36;2*1-33(2,3)29-17-24(16-23-10-8-9-11-26(23)29)31-32-28(14-15-36-31)27-13-12-22(18-30(27)37-32)25-19-34(4,5)21-35(6,7)20-25;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h2*5-6,9-12,15,20,22-24H,4,7-8,13-14,16-19H2,1-3H3;2*8-15,17-18,25H,19-21H2,1-7H3;9-13,16-18H,1-8H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyLYDMFJMHHPYSIY-UHFFFAOYSA-N
MW3773.49 g/mol
LogP61.34
Rot. Bonds36

About bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)

bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium) (PubChem CID 157473759) has the molecular formula C202H264Ir4N4O8S4-4 and a molecular weight of 3773.49 g/mol. Its IUPAC name is bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium).

Molecular Properties

Compound Namebis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)
PubChem CID157473759
Molecular FormulaC202H264Ir4N4O8S4-4
Molecular Weight3773.49 g/mol
Exact Mass3773.78
IUPAC Namebis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2nccc3c2sc2cc(C4CCC5(CCCCC5)CC4)ccc23)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3c2sc2cc(C4CCC5(CCCCC5)CC4)ccc23)[c-]c2ccccc12.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC1(C)CC(c2ccc3c(c2)sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC(C)(C)C1.CC1(C)CC(c2ccc3c(c2)sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC(C)(C)C1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C36H38NS.2C35H38NS.C17H32O2.2C15H28O2.C13H24O2.4Ir/c2*1-35(2,3)31-22-27(21-26-9-5-6-10-28(26)31)33-34-30(15-20-37-33)29-12-11-25(23-32(29)38-34)24-13-18-36(19-14-24)16-7-4-8-17-36;2*1-33(2,3)29-17-24(16-23-10-8-9-11-26(23)29)31-32-28(14-15-36-31)27-13-12-22(18-30(27)37-32)25-19-34(4,5)21-35(6,7)20-25;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h2*5-6,9-12,15,20,22-24H,4,7-8,13-14,16-19H2,1-3H3;2*8-15,17-18,25H,19-21H2,1-7H3;9-13,16-18H,1-8H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyLYDMFJMHHPYSIY-UHFFFAOYSA-N
XLogP61.34
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003773.49
LogP ≤ 561.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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'}

Analyze bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)?
The IUPAC name of bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium) (CID 157473759) is bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium).
What is the SMILES notation for bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)?
The canonical SMILES for bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium) is CC(C)(C)c1cc(-c2nccc3c2sc2cc(C4CCC5(CCCCC5)CC4)ccc23)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3c2sc2cc(C4CCC5(CCCCC5)CC4)ccc23)[c-]c2ccccc12.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC1(C)CC(c2ccc3c(c2)sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC(C)(C)C1.CC1(C)CC(c2ccc3c(c2)sc2c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)CC(C)(C)C1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)?
The InChIKey is LYDMFJMHHPYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H38NS.2C35H38NS.C17H32O2.2C15H28O2.C13H24O2.4Ir/c2*1-35(2,3)31-22-27(21-26-9-5-6-10-28(26)31)33-34-30(15-20-37-33)29-12-11-25(23-32(29)38-34)24-13-18-36(19-14-24)16-7-4-8-17-36;2*1-33(2,3)29-17-24(16-23-10-8-9-11-26(23)29)31-32-28(14-15-36-31)27-13-12-22(18-30(27)37-32)25-19-34(4,5)21-35(6,7)20-25;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h2*5-6,9-12,15,20,22-24H,4,7-8,13-14,16-19H2,1-3H3;2*8-15,17-18,25H,19-21H2,1-7H3;9-13,16-18H,1-8H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium)?
bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium) has a molecular weight of 3773.49 g/mol, XLogP of 61.34, 36 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,5,5-tetramethylcyclohexyl)-[1]benzothiolo[2,3-c]pyridine);bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);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;tetrakis(iridium) is sourced from PubChem (CID 157473759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).