4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

C43H40GeIrN2-2 — CID 164792269

IUPAC4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
SMILESCc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]cc3c(ccc4ccccc43)c2)c1.[Ir]
InChIInChI=1S/C22H18N.C21H22GeN.Ir/c1-15(2)17-11-12-23-22(14-17)19-9-10-21-18(13-19)8-7-16-5-3-4-6-20(16)21;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h3-8,10-15H,1-2H3;5-10,12-15H,1-4H3;/q2*-1;/i15D;;
InChIKeyZNQLMRXSUYPMMW-BSRYWEDOSA-N
MW850.64 g/mol
LogP11.05
Rot. Bonds5

About 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 164792269) has the molecular formula C43H40GeIrN2-2 and a molecular weight of 850.64 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
PubChem CID164792269
Molecular FormulaC43H40GeIrN2-2
Molecular Weight850.64 g/mol
Exact Mass852.21
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
SMILESCc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]cc3c(ccc4ccccc43)c2)c1.[Ir]
InChIInChI=1S/C22H18N.C21H22GeN.Ir/c1-15(2)17-11-12-23-22(14-17)19-9-10-21-18(13-19)8-7-16-5-3-4-6-20(16)21;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h3-8,10-15H,1-2H3;5-10,12-15H,1-4H3;/q2*-1;/i15D;;
InChIKeyZNQLMRXSUYPMMW-BSRYWEDOSA-N
XLogP11.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.64
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 164792166
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166574196
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575711
iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166577814
iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166574198
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166578394
CID 164846151
CID 164846151
iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578157
4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 163774129
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-(4-methyl-5-trimethylgermyl-2-pyridinyl)-2-phenylbenzene-5-ide-1-carboperoxoic acid
CID 166576032
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574006
4-(2-deuteriopropan-2-yl)-2-[7-(2-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165170595

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 164792269) is 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]cc3c(ccc4ccccc43)c2)c1.[Ir].
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The InChIKey is ZNQLMRXSUYPMMW-BSRYWEDOSA-N. The full InChI is InChI=1S/C22H18N.C21H22GeN.Ir/c1-15(2)17-11-12-23-22(14-17)19-9-10-21-18(13-19)8-7-16-5-3-4-6-20(16)21;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h3-8,10-15H,1-2H3;5-10,12-15H,1-4H3;/q2*-1;/i15D;;.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 850.64 g/mol, XLogP of 11.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 164792269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).