(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium

C48H64GeIrNO2S- — CID 168837406

IUPAC(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium
SMILESCCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1cc2[c-]c(-c3nccc4c(C)c(-c5ccc([Ge](C)(C)C)cc5C)sc34)cc(C(C)C)c2cc1C.[Ir]
InChIInChI=1S/C33H36GeNS.C15H28O2.Ir/c1-19(2)29-18-25(17-24-14-20(3)21(4)16-30(24)29)31-33-28(12-13-35-31)23(6)32(36-33)27-11-10-26(15-22(27)5)34(7,8)9;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h10-16,18-19H,1-9H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;
InChIKeyYPNCJXJXZOACKH-SWPBDETKSA-N
MW983.94 g/mol
LogP14.13
Rot. Bonds11

About (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium (PubChem CID 168837406) has the molecular formula C48H64GeIrNO2S- and a molecular weight of 983.94 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium
PubChem CID168837406
Molecular FormulaC48H64GeIrNO2S-
Molecular Weight983.94 g/mol
Exact Mass985.35
IUPAC Name(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium
SMILESCCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1cc2[c-]c(-c3nccc4c(C)c(-c5ccc([Ge](C)(C)C)cc5C)sc34)cc(C(C)C)c2cc1C.[Ir]
InChIInChI=1S/C33H36GeNS.C15H28O2.Ir/c1-19(2)29-18-25(17-24-14-20(3)21(4)16-30(24)29)31-33-28(12-13-35-31)23(6)32(36-33)27-11-10-26(15-22(27)5)34(7,8)9;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h10-16,18-19H,1-9H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;
InChIKeyYPNCJXJXZOACKH-SWPBDETKSA-N
XLogP14.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.94
LogP ≤ 514.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;triethyl-[7-methyl-1-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
CID 169078292
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-methyl-1-(4-propan-2-yl-1H-phenanthren-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 171460288
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171717983
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzothiophen-6-yl]thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171718192
7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 164702989
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-7-yl)thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171718023
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[5-(2-methylpropyl)-1-benzofuran-3-yl]thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171718262
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[6-(2-methylpropyl)-1-benzofuran-3-yl]thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171718540
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[3-(9-methyl-8-propan-2-ylbenzo[f]isoquinolin-4-yl)-4H-naphthalen-4-id-1-yl]silane
CID 162482625
15-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171581433
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-6-yl)thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171717962
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[2-(2,2-dimethylpropyl)-1,3-benzothiazol-6-yl]-3-methylthieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 165172778

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium?
The IUPAC name of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium (CID 168837406) is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium.
What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium?
The canonical SMILES for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium is CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1cc2[c-]c(-c3nccc4c(C)c(-c5ccc([Ge](C)(C)C)cc5C)sc34)cc(C(C)C)c2cc1C.[Ir].
What is the InChIKey of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium?
The InChIKey is YPNCJXJXZOACKH-SWPBDETKSA-N. The full InChI is InChI=1S/C33H36GeNS.C15H28O2.Ir/c1-19(2)29-18-25(17-24-14-20(3)21(4)16-30(24)29)31-33-28(12-13-35-31)23(6)32(36-33)27-11-10-26(15-22(27)5)34(7,8)9;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h10-16,18-19H,1-9H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;.
What are the key properties of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium?
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium has a molecular weight of 983.94 g/mol, XLogP of 14.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-[7-(6,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-3-methylphenyl]-trimethylgermane;iridium is sourced from PubChem (CID 168837406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).