2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium

C46H58Ge2IrNO2- — CID 176748943

IUPAC2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
SMILESCC(C)(C)c1cc(-c2cc(C3=Cc4cc5c(cc4[Ge]3(C)C)C=C[Ge]5(C)C)ccn2)[c-]c2ccccc12.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Ir]
InChIInChI=1S/C33H34Ge2N.C13H24O2.Ir/c1-33(2,3)28-17-26(16-22-10-8-9-11-27(22)28)32-21-24(13-15-36-32)30-20-25-19-29-23(12-14-34(29,4)5)18-31(25)35(30,6)7;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h8-15,17-21H,1-7H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;
InChIKeyAKRDDQFAOFPDEA-DZTQYQPZSA-N
MW994.41 g/mol
LogP11.36
Rot. Bonds9

About 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium (PubChem CID 176748943) has the molecular formula C46H58Ge2IrNO2- and a molecular weight of 994.41 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium.

Molecular Properties

Compound Name2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
PubChem CID176748943
Molecular FormulaC46H58Ge2IrNO2-
Molecular Weight994.41 g/mol
Exact Mass997.25
IUPAC Name2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
SMILESCC(C)(C)c1cc(-c2cc(C3=Cc4cc5c(cc4[Ge]3(C)C)C=C[Ge]5(C)C)ccn2)[c-]c2ccccc12.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Ir]
InChIInChI=1S/C33H34Ge2N.C13H24O2.Ir/c1-33(2,3)28-17-26(16-22-10-8-9-11-27(22)28)32-21-24(13-15-36-32)30-20-25-19-29-23(12-14-34(29,4)5)18-31(25)35(30,6)7;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h8-15,17-21H,1-7H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;
InChIKeyAKRDDQFAOFPDEA-DZTQYQPZSA-N
XLogP11.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.41
LogP ≤ 511.36
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

4-(1-benzothiophen-2-yl)-2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164729402
4-(1-benzofuran-7-yl)-2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171741277
4-(1-benzofuran-2-yl)-2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164729408
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]phenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665514
3-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]thieno[3,2-b]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171741584
6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-2-(2-methylpropyl)furo[2,3-b]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171741644
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[5-(1-deuterio-4,4-dimethylcyclohexyl)-2-pyridinyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 166501416
5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-2-(2,6-diphenylphenyl)-1,3-dimethyl-1,3,2-benzodiazaborole;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 166020240
5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-3-(2-methylpropyl)thieno[2,3-b]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171742086
4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-3-(2-methylpropyl)thieno[3,2-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171741433
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[6-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171741958
7-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-3-(2-methylpropyl)furo[3,2-b]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171742262

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium?
The IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium (CID 176748943) is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium.
What is the SMILES notation for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium?
The canonical SMILES for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium is CC(C)(C)c1cc(-c2cc(C3=Cc4cc5c(cc4[Ge]3(C)C)C=C[Ge]5(C)C)ccn2)[c-]c2ccccc12.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Ir].
What is the InChIKey of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium?
The InChIKey is AKRDDQFAOFPDEA-DZTQYQPZSA-N. The full InChI is InChI=1S/C33H34Ge2N.C13H24O2.Ir/c1-33(2,3)28-17-26(16-22-10-8-9-11-27(22)28)32-21-24(13-15-36-32)30-20-25-19-29-23(12-14-34(29,4)5)18-31(25)35(30,6)7;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h8-15,17-21H,1-7H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;.
What are the key properties of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium?
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium has a molecular weight of 994.41 g/mol, XLogP of 11.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(1,1,5,5-tetramethylgermolo[2,3-f][1]benzogermol-2-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium is sourced from PubChem (CID 176748943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).