N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane

C88H117Ge3Ir3N8O7-3 — CID 158907529

IUPACN,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CN(C)c1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.COc1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.[C-]#[N+]c1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C19H22GeN3.C18H16GeN3.C18H19GeN2O.3C11H20O2.3Ir/c1-20(2,3)15-8-6-14(7-9-15)19-17-11-10-16(23(4)5)12-18(17)21-13-22-19;1-19(2,3)14-7-5-13(6-8-14)18-16-10-9-15(20-4)11-17(16)21-12-22-18;1-19(2,3)14-7-5-13(6-8-14)18-16-10-9-15(22-4)11-17(16)20-12-21-18;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h6,8-13H,1-5H3;5,7-12H,1-3H3;5,7-12H,1-4H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;
InChIKeyBDFNYNOTMWBKJO-UHFFFAOYSA-N
MW2193.43 g/mol
LogP20.81
Rot. Bonds11

About N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane

N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane (PubChem CID 158907529) has the molecular formula C88H117Ge3Ir3N8O7-3 and a molecular weight of 2193.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane
PubChem CID158907529
Molecular FormulaC88H117Ge3Ir3N8O7-3
Molecular Weight2193.43 g/mol
Exact Mass2198.56
IUPAC NameN,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CN(C)c1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.COc1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.[C-]#[N+]c1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C19H22GeN3.C18H16GeN3.C18H19GeN2O.3C11H20O2.3Ir/c1-20(2,3)15-8-6-14(7-9-15)19-17-11-10-16(23(4)5)12-18(17)21-13-22-19;1-19(2,3)14-7-5-13(6-8-14)18-16-10-9-15(20-4)11-17(16)21-12-22-18;1-19(2,3)14-7-5-13(6-8-14)18-16-10-9-15(22-4)11-17(16)20-12-21-18;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h6,8-13H,1-5H3;5,7-12H,1-3H3;5,7-12H,1-4H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;
InChIKeyBDFNYNOTMWBKJO-UHFFFAOYSA-N
XLogP20.81
TPSA206.07 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.43
LogP ≤ 520.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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'}

Analyze N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane with MolForge

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Related Compounds

N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline
CID 159023106
6-fluoro-2-(3-methoxybenzene-6-id-1-yl)quinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 59288877
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 155206373
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 160716172
[4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 162692749
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 162703891
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
2-(7-methoxyquinazolin-4-yl)propanoic acid
CID 105490596
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;1-[4-(difluoromethoxy)benzene-6-id-1-yl]isoquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-(4-methoxybenzene-6-id-1-yl)-7-methylisoquinoline
CID 158130327
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
4-[(6-methoxypyrimidin-4-yl)-methylamino]benzoic acid
CID 113442769

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane?
The IUPAC name of N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane (CID 158907529) is N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane.
What is the SMILES notation for N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane?
The canonical SMILES for N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CN(C)c1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.COc1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.[C-]#[N+]c1ccc2c(-c3[c-]cc([Ge](C)(C)C)cc3)ncnc2c1.[Ir].[Ir].[Ir].
What is the InChIKey of N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane?
The InChIKey is BDFNYNOTMWBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22GeN3.C18H16GeN3.C18H19GeN2O.3C11H20O2.3Ir/c1-20(2,3)15-8-6-14(7-9-15)19-17-11-10-16(23(4)5)12-18(17)21-13-22-19;1-19(2,3)14-7-5-13(6-8-14)18-16-10-9-15(20-4)11-17(16)21-12-22-18;1-19(2,3)14-7-5-13(6-8-14)18-16-10-9-15(22-4)11-17(16)20-12-21-18;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h6,8-13H,1-5H3;5,7-12H,1-3H3;5,7-12H,1-4H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;.
What are the key properties of N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane?
N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane has a molecular weight of 2193.43 g/mol, XLogP of 20.81, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-trimethylgermylbenzene-6-id-1-yl)quinazolin-7-amine;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);[4-(7-isocyanoquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane;[4-(7-methoxyquinazolin-4-yl)benzene-5-id-1-yl]-trimethylgermane is sourced from PubChem (CID 158907529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).