(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium

C40H53FGeIrNO2- — CID 177073365

IUPAC(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium
SMILESCC(C)(C)Cc1ccc2c(-c3[c-]c4ccccc4c([Ge](C)(C)C)c3)ncc(F)c2c1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Ir]
InChIInChI=1S/C27H29FGeN.C13H24O2.Ir/c1-27(2,3)16-18-11-12-22-23(13-18)24(28)17-30-26(22)20-14-19-9-7-8-10-21(19)25(15-20)29(4,5)6;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-13,15,17H,16H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;
InChIKeyADHXSUIIQWJDRE-DZTQYQPZSA-N
MW863.69 g/mol
LogP11.00
Rot. Bonds10

About (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium (PubChem CID 177073365) has the molecular formula C40H53FGeIrNO2- and a molecular weight of 863.69 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium.

Molecular Properties

Compound Name(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium
PubChem CID177073365
Molecular FormulaC40H53FGeIrNO2-
Molecular Weight863.69 g/mol
Exact Mass865.29
IUPAC Name(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium
SMILESCC(C)(C)Cc1ccc2c(-c3[c-]c4ccccc4c([Ge](C)(C)C)c3)ncc(F)c2c1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Ir]
InChIInChI=1S/C27H29FGeN.C13H24O2.Ir/c1-27(2,3)16-18-11-12-22-23(13-18)24(28)17-30-26(22)20-14-19-9-7-8-10-21(19)25(15-20)29(4,5)6;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-13,15,17H,16H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;
InChIKeyADHXSUIIQWJDRE-DZTQYQPZSA-N
XLogP11.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.69
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 177073408
CID 177073408
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;7-(2,2-dimethylpropyl)-4-[4-(2-isocyanopropan-2-yl)-1H-naphthalen-1-id-2-yl]quinazoline;iridium
CID 176812340
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[7-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]-4H-naphthalen-4-id-1-yl]-trimethylsilane;iridium
CID 170932140
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-(4-fluoro-7,8-dimethyl-[1]benzothiolo[2,3-c]pyridin-1-yl)-4H-naphthalen-4-id-1-yl]-trimethylsilane;iridium
CID 177073356
[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(2,2-dimethylpropyl)phenyl]-3-pyridinyl]-trifluorosilane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164796384
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;7-(2,2-dimethylpropyl)-1-(5H-naphtho[2,1-b][1]benzothiol-5-id-6-yl)-[1]benzothiolo[2,3-c]pyridine;iridium
CID 171423633
1-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(2,2-dimethylpropyl)phenyl]-3-pyridinyl]-2,2,2-trifluoroethanone;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164796419
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(2,2-dimethylpropyl)quinazoline;iridium
CID 153484544
2-deuterio-7-(2,2-dimethylpropyl)-4-(1H-naphthalen-1-id-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 176865272
[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-trimethylgermane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 177122785
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,6,7,8-tetrafluoroquinazoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 155760269
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]-2-fluorophenyl]pyridine-3-carbonitrile;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164796386

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium?
The IUPAC name of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium (CID 177073365) is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium.
What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium?
The canonical SMILES for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium is CC(C)(C)Cc1ccc2c(-c3[c-]c4ccccc4c([Ge](C)(C)C)c3)ncc(F)c2c1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Ir].
What is the InChIKey of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium?
The InChIKey is ADHXSUIIQWJDRE-DZTQYQPZSA-N. The full InChI is InChI=1S/C27H29FGeN.C13H24O2.Ir/c1-27(2,3)16-18-11-12-22-23(13-18)24(28)17-30-26(22)20-14-19-9-7-8-10-21(19)25(15-20)29(4,5)6;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-13,15,17H,16H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;.
What are the key properties of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium?
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium has a molecular weight of 863.69 g/mol, XLogP of 11.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-[6-(2,2-dimethylpropyl)-4-fluoroisoquinolin-1-yl]-4H-naphthalen-4-id-1-yl]-trimethylgermane;iridium is sourced from PubChem (CID 177073365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).