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

C46H62IrNO2Si- — CID 176802768

IUPAC2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
SMILESCCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1cc(C2CC[Si](C)(C)CC2)ccc1-c1ccnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c1.[Ir]
InChIInChI=1S/C33H38NSi.C13H24O2.Ir/c1-23-19-25(24-14-17-35(5,6)18-15-24)11-12-29(23)27-13-16-34-32(22-27)28-20-26-9-7-8-10-30(26)31(21-28)33(2,3)4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-13,16,19,21-22,24H,14-15,17-18H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;
InChIKeyCIBHKPRUNFEVBF-DZTQYQPZSA-N
MW881.31 g/mol
LogP13.43
Rot. Bonds10

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

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium (PubChem CID 176802768) has the molecular formula C46H62IrNO2Si- and a molecular weight of 881.31 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]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-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
PubChem CID176802768
Molecular FormulaC46H62IrNO2Si-
Molecular Weight881.31 g/mol
Exact Mass881.42
IUPAC Name2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
SMILESCCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1cc(C2CC[Si](C)(C)CC2)ccc1-c1ccnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c1.[Ir]
InChIInChI=1S/C33H38NSi.C13H24O2.Ir/c1-23-19-25(24-14-17-35(5,6)18-15-24)11-12-29(23)27-13-16-34-32(22-27)28-20-26-9-7-8-10-30(26)31(21-28)33(2,3)4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-13,16,19,21-22,24H,14-15,17-18H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;
InChIKeyCIBHKPRUNFEVBF-DZTQYQPZSA-N
XLogP13.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.31
LogP ≤ 513.43
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 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;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

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
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
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
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
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
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
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
3-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-7-(2-methylpropyl)thieno[3,2-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171742033
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
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
[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]thieno[2,3-c]pyridin-3-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164703090

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]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-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium (CID 176802768) is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]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-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]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-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium is CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1cc(C2CC[Si](C)(C)CC2)ccc1-c1ccnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c1.[Ir].
What is the InChIKey of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium?
The InChIKey is CIBHKPRUNFEVBF-DZTQYQPZSA-N. The full InChI is InChI=1S/C33H38NSi.C13H24O2.Ir/c1-23-19-25(24-14-17-35(5,6)18-15-24)11-12-29(23)27-13-16-34-32(22-27)28-20-26-9-7-8-10-30(26)31(21-28)33(2,3)4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h7-13,16,19,21-22,24H,14-15,17-18H2,1-6H3;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-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium?
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium has a molecular weight of 881.31 g/mol, XLogP of 13.43, 10 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-[4-(1,1-dimethylsilinan-4-yl)-2-methylphenyl]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium is sourced from PubChem (CID 176802768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).