7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)

C127H168Ir4N8O8-4 — CID 161063099

IUPAC7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncnc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3cc(C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccc(C(C)C)cc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H21N2.2C19H19N2.C16H13N2.4C13H24O2.4Ir/c1-14-9-15(2)11-18(10-14)21-19-8-7-17(16-5-3-4-6-16)12-20(19)22-13-23-21;1-12(2)15-5-6-18-17(10-15)19(21-11-20-18)16-8-13(3)7-14(4)9-16;1-12(2)15-5-6-17-18(10-15)20-11-21-19(17)16-8-13(3)7-14(4)9-16;1-11-7-12(2)9-13(8-11)16-14-5-3-4-6-15(14)17-10-18-16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h7-10,12-13,16H,3-6H2,1-2H3;2*5-8,10-12H,1-4H3;3-8,10H,1-2H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyACCCYFDOVHPCDH-UHFFFAOYSA-N
MW2703.66 g/mol
LogP34.23
Rot. Bonds35

About 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)

7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium) (PubChem CID 161063099) has the molecular formula C127H168Ir4N8O8-4 and a molecular weight of 2703.66 g/mol. Its IUPAC name is 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium).

Molecular Properties

Compound Name7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)
PubChem CID161063099
Molecular FormulaC127H168Ir4N8O8-4
Molecular Weight2703.66 g/mol
Exact Mass2705.15
IUPAC Name7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncnc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3cc(C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccc(C(C)C)cc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H21N2.2C19H19N2.C16H13N2.4C13H24O2.4Ir/c1-14-9-15(2)11-18(10-14)21-19-8-7-17(16-5-3-4-6-16)12-20(19)22-13-23-21;1-12(2)15-5-6-18-17(10-15)19(21-11-20-18)16-8-13(3)7-14(4)9-16;1-12(2)15-5-6-17-18(10-15)20-11-21-19(17)16-8-13(3)7-14(4)9-16;1-11-7-12(2)9-13(8-11)16-14-5-3-4-6-15(14)17-10-18-16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h7-10,12-13,16H,3-6H2,1-2H3;2*5-8,10-12H,1-4H3;3-8,10H,1-2H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyACCCYFDOVHPCDH-UHFFFAOYSA-N
XLogP34.23
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002703.66
LogP ≤ 534.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium) with MolForge

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Related Compounds

6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);tris(iridium)
CID 162206186
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis(6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);tetrakis(iridium)
CID 157412989
bis(6-cyclohexyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 155639353
3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;iridium
CID 155638554
(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
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;pentakis(iridium);2-phenylpyridine
CID 157287014
3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;iridium
CID 155639383
tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)
CID 159305213
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9-fluoro-6-hydroxynon-5-en-4-one;iridium
CID 162459207
3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;iridium
CID 155638827
6-cyclopentyl-3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;iridium;(Z)-3,3,7-triethyl-6-hydroxynon-5-en-4-one
CID 162459380
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine
CID 159107853

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)?
The IUPAC name of 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium) (CID 161063099) is 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium).
What is the SMILES notation for 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)?
The canonical SMILES for 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium) is CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncnc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3cc(C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccc(C(C)C)cc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)?
The InChIKey is ACCCYFDOVHPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2.2C19H19N2.C16H13N2.4C13H24O2.4Ir/c1-14-9-15(2)11-18(10-14)21-19-8-7-17(16-5-3-4-6-16)12-20(19)22-13-23-21;1-12(2)15-5-6-18-17(10-15)19(21-11-20-18)16-8-13(3)7-14(4)9-16;1-12(2)15-5-6-17-18(10-15)20-11-21-19(17)16-8-13(3)7-14(4)9-16;1-11-7-12(2)9-13(8-11)16-14-5-3-4-6-15(14)17-10-18-16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h7-10,12-13,16H,3-6H2,1-2H3;2*5-8,10-12H,1-4H3;3-8,10H,1-2H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)?
7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium) has a molecular weight of 2703.66 g/mol, XLogP of 34.23, 35 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium) is sourced from PubChem (CID 161063099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).