carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline

C198H162F6Ir6N17O3-10 — CID 158523335

IUPACcarbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline
SMILESC/C(=C\C=C/C=[N-])c1[c-]c(C)cc(C)c1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc2c1ccc1cnc(-c3[c-]cccc3)nc12.COc1c[c-]c(-c2ncc3ccc4ccccc4c3n2)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1.Cc1cc2c(C)cc3cnc(-c4[c-]cccc4)nc3c2cc1C.Cc1ccc2c(ccc3cnc(-c4[c-]cccc4)nc32)c1.Cc1cnc(-c2[c-]cccc2)cc1C.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.[CH3-].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C21H17N2.2C19H10F3N2.C19H13N2O.C19H13N2.C17H12N.C14H15N.2C13H12N.C11H8N.C11H20O2.CH3.6Ir/c1-13-10-18-15(3)9-17-12-22-21(16-7-5-4-6-8-16)23-20(17)19(18)11-14(13)2;1-14(2)17-9-6-10-19-18(17)12-11-16-13-22-21(23-20(16)19)15-7-4-3-5-8-15;2*20-19(21,22)14-7-8-15-13(10-14)6-9-17-16(15)11-23-18(24-17)12-4-2-1-3-5-12;1-22-16-10-8-14(9-11-16)19-20-12-15-7-6-13-4-2-3-5-17(13)18(15)21-19;1-13-7-10-17-15(11-13)8-9-16-12-20-19(21-18(16)17)14-5-3-2-4-6-14;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-11-8-12(2)10-14(9-11)13(3)6-4-5-7-15;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;;;;;;;/h4-7,9-12H,1-3H3;3-7,9-14H,1-2H3;2*1-4,6-11H;2-8,10-12H,1H3;2-5,7-12H,1H3;1-9,11-13H;4-9H,1-3H3;3-8H,1-2H3;3-6,8-9H,1-2H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;1H3;;;;;;/q7*-1;-2;3*-1;;-1;;;;;;+3/b;;;;;;;5-4-,13-6+;;;;;;;;;;;
InChIKeyCDAFXZYNINJDHS-XKZNCIADSA-N
MW4094.88 g/mol
LogP50.23
Rot. Bonds21

About carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline

carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline (PubChem CID 158523335) has the molecular formula C198H162F6Ir6N17O3-10 and a molecular weight of 4094.88 g/mol. Its IUPAC name is carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Namecarbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline
PubChem CID158523335
Molecular FormulaC198H162F6Ir6N17O3-10
Molecular Weight4094.88 g/mol
Exact Mass4097.08
IUPAC Namecarbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline
SMILESC/C(=C\C=C/C=[N-])c1[c-]c(C)cc(C)c1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc2c1ccc1cnc(-c3[c-]cccc3)nc12.COc1c[c-]c(-c2ncc3ccc4ccccc4c3n2)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1.Cc1cc2c(C)cc3cnc(-c4[c-]cccc4)nc3c2cc1C.Cc1ccc2c(ccc3cnc(-c4[c-]cccc4)nc32)c1.Cc1cnc(-c2[c-]cccc2)cc1C.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.[CH3-].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C21H17N2.2C19H10F3N2.C19H13N2O.C19H13N2.C17H12N.C14H15N.2C13H12N.C11H8N.C11H20O2.CH3.6Ir/c1-13-10-18-15(3)9-17-12-22-21(16-7-5-4-6-8-16)23-20(17)19(18)11-14(13)2;1-14(2)17-9-6-10-19-18(17)12-11-16-13-22-21(23-20(16)19)15-7-4-3-5-8-15;2*20-19(21,22)14-7-8-15-13(10-14)6-9-17-16(15)11-23-18(24-17)12-4-2-1-3-5-12;1-22-16-10-8-14(9-11-16)19-20-12-15-7-6-13-4-2-3-5-17(13)18(15)21-19;1-13-7-10-17-15(11-13)8-9-16-12-20-19(21-18(16)17)14-5-3-2-4-6-14;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-11-8-12(2)10-14(9-11)13(3)6-4-5-7-15;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;;;;;;;/h4-7,9-12H,1-3H3;3-7,9-14H,1-2H3;2*1-4,6-11H;2-8,10-12H,1H3;2-5,7-12H,1H3;1-9,11-13H;4-9H,1-3H3;3-8H,1-2H3;3-6,8-9H,1-2H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;1H3;;;;;;/q7*-1;-2;3*-1;;-1;;;;;;+3/b;;;;;;;5-4-,13-6+;;;;;;;;;;;
InChIKeyCDAFXZYNINJDHS-XKZNCIADSA-N
XLogP50.23
TPSA275.07 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004094.88
LogP ≤ 550.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?
The IUPAC name of carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline (CID 158523335) is carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline.
What is the SMILES notation for carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?
The canonical SMILES for carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline is C/C(=C\C=C/C=[N-])c1[c-]c(C)cc(C)c1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc2c1ccc1cnc(-c3[c-]cccc3)nc12.COc1c[c-]c(-c2ncc3ccc4ccccc4c3n2)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1.Cc1cc2c(C)cc3cnc(-c4[c-]cccc4)nc3c2cc1C.Cc1ccc2c(ccc3cnc(-c4[c-]cccc4)nc32)c1.Cc1cnc(-c2[c-]cccc2)cc1C.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.[CH3-].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?
The InChIKey is CDAFXZYNINJDHS-XKZNCIADSA-N. The full InChI is InChI=1S/2C21H17N2.2C19H10F3N2.C19H13N2O.C19H13N2.C17H12N.C14H15N.2C13H12N.C11H8N.C11H20O2.CH3.6Ir/c1-13-10-18-15(3)9-17-12-22-21(16-7-5-4-6-8-16)23-20(17)19(18)11-14(13)2;1-14(2)17-9-6-10-19-18(17)12-11-16-13-22-21(23-20(16)19)15-7-4-3-5-8-15;2*20-19(21,22)14-7-8-15-13(10-14)6-9-17-16(15)11-23-18(24-17)12-4-2-1-3-5-12;1-22-16-10-8-14(9-11-16)19-20-12-15-7-6-13-4-2-3-5-17(13)18(15)21-19;1-13-7-10-17-15(11-13)8-9-16-12-20-19(21-18(16)17)14-5-3-2-4-6-14;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-11-8-12(2)10-14(9-11)13(3)6-4-5-7-15;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;;;;;;;/h4-7,9-12H,1-3H3;3-7,9-14H,1-2H3;2*1-4,6-11H;2-8,10-12H,1H3;2-5,7-12H,1H3;1-9,11-13H;4-9H,1-3H3;3-8H,1-2H3;3-6,8-9H,1-2H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;1H3;;;;;;/q7*-1;-2;3*-1;;-1;;;;;;+3/b;;;;;;;5-4-,13-6+;;;;;;;;;;;.
What are the key properties of carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?
carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline has a molecular weight of 4094.88 g/mol, XLogP of 50.23, 21 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[(2Z,4E)-5-(3,5-dimethylbenzene-6-id-1-yl)hexa-2,4-dienylidene]azanide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;pentakis(iridium);iridium(3+);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;8-methyl-2-phenylbenzo[h]quinazoline;4-phenyl-2-phenylpyridine;2-phenyl-7-propan-2-ylbenzo[h]quinazoline;2-phenylpyridine;bis(3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline);6,8,9-trimethyl-2-phenylbenzo[h]quinazoline is sourced from PubChem (CID 158523335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).