[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium

C45H62GeIrNO2Si- — CID 171747882

IUPAC[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
SMILESCC(C)(C)c1cc(-c2nccc3c2[Ge](C)(C)c2cc([Si](C)(C)C)ccc2-3)[c-]c2ccccc12.CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.[Ir]
InChIInChI=1S/C30H34GeNSi.C15H28O2.Ir/c1-30(2,3)26-18-21(17-20-11-9-10-12-23(20)26)29-28-25(15-16-32-29)24-14-13-22(33(6,7)8)19-27(24)31(28,4)5;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h9-16,18-19H,1-8H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;
InChIKeyMVRXLBCANJSABL-SWPBDETKSA-N
MW941.91 g/mol
LogP11.00
Rot. Bonds9

About [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium

[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium (PubChem CID 171747882) has the molecular formula C45H62GeIrNO2Si- and a molecular weight of 941.91 g/mol. Its IUPAC name is [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium.

Molecular Properties

Compound Name[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
PubChem CID171747882
Molecular FormulaC45H62GeIrNO2Si-
Molecular Weight941.91 g/mol
Exact Mass943.34
IUPAC Name[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
SMILESCC(C)(C)c1cc(-c2nccc3c2[Ge](C)(C)c2cc([Si](C)(C)C)ccc2-3)[c-]c2ccccc12.CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.[Ir]
InChIInChI=1S/C30H34GeNSi.C15H28O2.Ir/c1-30(2,3)26-18-21(17-20-11-9-10-12-23(20)26)29-28-25(15-16-32-29)24-14-13-22(33(6,7)8)19-27(24)31(28,4)5;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h9-16,18-19H,1-8H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;
InChIKeyMVRXLBCANJSABL-SWPBDETKSA-N
XLogP11.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.91
LogP ≤ 511.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium with MolForge

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Related Compounds

2-(1-benzofuran-3-yl)-7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171718216
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171581582
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)-2-(2-methyl-1-benzothiophen-7-yl)furo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171718695
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171450451
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(3-methyl-1-benzofuran-7-yl)furo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171718410
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-propan-2-yl-5,6-dihydrobenzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171450294
13-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-11-thia-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171581677
13-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-11-oxa-6,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171581432
15-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171581424
12-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 168816261
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 154599516

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium?
The IUPAC name of [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium (CID 171747882) is [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium.
What is the SMILES notation for [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium?
The canonical SMILES for [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium is CC(C)(C)c1cc(-c2nccc3c2[Ge](C)(C)c2cc([Si](C)(C)C)ccc2-3)[c-]c2ccccc12.CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.[Ir].
What is the InChIKey of [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium?
The InChIKey is MVRXLBCANJSABL-SWPBDETKSA-N. The full InChI is InChI=1S/C30H34GeNSi.C15H28O2.Ir/c1-30(2,3)26-18-21(17-20-11-9-10-12-23(20)26)29-28-25(15-16-32-29)24-14-13-22(33(6,7)8)19-27(24)31(28,4)5;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h9-16,18-19H,1-8H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;.
What are the key properties of [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium?
[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium has a molecular weight of 941.91 g/mol, XLogP of 11.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium is sourced from PubChem (CID 171747882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).