4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide

C221H210Ir4N8O8-4 — CID 157249842

IUPAC4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide
SMILESC=[N+]1C=CC(C(C)(C)C)=C[C-]1c1[c-]cccc1.C=[N+]1C=CC(C)=C[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3cc(C(C)(C)C)ccc23)[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]cc(C)c(C)c1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(C(C)(C)C)c1.C=[n+]1cc(C)c2c(cc(C)c3ccccc32)c1=c1[c-]cc2c3c(ccc2c1)=c1ccccc1=C[CH-]3.C=[n+]1ccc2c(ccc3cc(C(C)(C)C)ccc32)c1=C1[C-]=C[C-]2C(=C1)c1ccccc1-c1ccccc12.C=[n+]1ccc2c(ccc3ccccc32)c1=c1[c-]cc(=C2C=CC=C[CH-]2)cc1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C36H28N.C34H24N.C26H18N.2C24H22N.C22H18N.C16H18N.C13H12N.C11H20O2.3C5H8O2.4Ir/c1-36(2,3)25-15-18-26-23(21-25)13-17-33-32(26)19-20-37(4)35(33)24-14-16-31-29-11-6-5-9-27(29)28-10-7-8-12-30(28)34(31)22-24;1-21-18-32-33(31-11-7-6-9-26(21)31)22(2)20-35(3)34(32)25-14-15-28-24(19-25)13-17-29-27-10-5-4-8-23(27)12-16-30(28)29;1-27-18-17-24-23-10-6-5-9-21(23)15-16-25(24)26(27)22-13-11-20(12-14-22)19-7-3-2-4-8-19;1-24(2,3)19-10-7-9-18(16-19)23-22-13-12-17-8-5-6-11-20(17)21(22)14-15-25(23)4;1-24(2,3)19-11-13-20-18(16-19)10-12-22-21(20)14-15-25(4)23(22)17-8-6-5-7-9-17;1-15-8-9-18(14-16(15)2)22-21-11-10-17-6-4-5-7-19(17)20(21)12-13-23(22)3;1-16(2,3)14-10-11-17(4)15(12-14)13-8-6-5-7-9-13;1-11-8-9-14(2)13(10-11)12-6-4-3-5-7-12;1-10(2,3)8(12)7-9(13)11(4,5)6;3*1-4(6)3-5(2)7;;;;/h5-13,15-22H,4H2,1-3H3;4-13,15-20H,3H2,1-2H3;2-13,15-18H,1H2;2*5-8,10-16H,4H2,1-3H3;4-8,10-14H,3H2,1-2H3;5-8,10-12H,4H2,1-3H3;3-6,8-10H,2H2,1H3;7,12H,1-6H3;3*3,6H,1-2H3;;;;/q8*-1;;;;;;;;/p+4
InChIKeyQEMMSFWCJWDOGO-UHFFFAOYSA-R
MW3875.03 g/mol
LogP46.56
Rot. Bonds9

About 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide

4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide (PubChem CID 157249842) has the molecular formula C221H210Ir4N8O8-4 and a molecular weight of 3875.03 g/mol. Its IUPAC name is 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide.

Molecular Properties

Compound Name4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide
PubChem CID157249842
Molecular FormulaC221H210Ir4N8O8-4
Molecular Weight3875.03 g/mol
Exact Mass3875.48
IUPAC Name4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide
SMILESC=[N+]1C=CC(C(C)(C)C)=C[C-]1c1[c-]cccc1.C=[N+]1C=CC(C)=C[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3cc(C(C)(C)C)ccc23)[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]cc(C)c(C)c1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(C(C)(C)C)c1.C=[n+]1cc(C)c2c(cc(C)c3ccccc32)c1=c1[c-]cc2c3c(ccc2c1)=c1ccccc1=C[CH-]3.C=[n+]1ccc2c(ccc3cc(C(C)(C)C)ccc32)c1=C1[C-]=C[C-]2C(=C1)c1ccccc1-c1ccccc12.C=[n+]1ccc2c(ccc3ccccc32)c1=c1[c-]cc(=C2C=CC=C[CH-]2)cc1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C36H28N.C34H24N.C26H18N.2C24H22N.C22H18N.C16H18N.C13H12N.C11H20O2.3C5H8O2.4Ir/c1-36(2,3)25-15-18-26-23(21-25)13-17-33-32(26)19-20-37(4)35(33)24-14-16-31-29-11-6-5-9-27(29)28-10-7-8-12-30(28)34(31)22-24;1-21-18-32-33(31-11-7-6-9-26(21)31)22(2)20-35(3)34(32)25-14-15-28-24(19-25)13-17-29-27-10-5-4-8-23(27)12-16-30(28)29;1-27-18-17-24-23-10-6-5-9-21(23)15-16-25(24)26(27)22-13-11-20(12-14-22)19-7-3-2-4-8-19;1-24(2,3)19-10-7-9-18(16-19)23-22-13-12-17-8-5-6-11-20(17)21(22)14-15-25(23)4;1-24(2,3)19-11-13-20-18(16-19)10-12-22-21(20)14-15-25(4)23(22)17-8-6-5-7-9-17;1-15-8-9-18(14-16(15)2)22-21-11-10-17-6-4-5-7-19(17)20(21)12-13-23(22)3;1-16(2,3)14-10-11-17(4)15(12-14)13-8-6-5-7-9-13;1-11-8-9-14(2)13(10-11)12-6-4-3-5-7-12;1-10(2,3)8(12)7-9(13)11(4,5)6;3*1-4(6)3-5(2)7;;;;/h5-13,15-22H,4H2,1-3H3;4-13,15-20H,3H2,1-2H3;2-13,15-18H,1H2;2*5-8,10-16H,4H2,1-3H3;4-8,10-14H,3H2,1-2H3;5-8,10-12H,4H2,1-3H3;3-6,8-10H,2H2,1H3;7,12H,1-6H3;3*3,6H,1-2H3;;;;/q8*-1;;;;;;;;/p+4
InChIKeyQEMMSFWCJWDOGO-UHFFFAOYSA-R
XLogP46.56
TPSA199.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms241
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003875.03
LogP ≤ 546.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide?
The IUPAC name of 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide (CID 157249842) is 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide.
What is the SMILES notation for 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide?
The canonical SMILES for 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide is C=[N+]1C=CC(C(C)(C)C)=C[C-]1c1[c-]cccc1.C=[N+]1C=CC(C)=C[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3cc(C(C)(C)C)ccc23)[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]cc(C)c(C)c1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(C(C)(C)C)c1.C=[n+]1cc(C)c2c(cc(C)c3ccccc32)c1=c1[c-]cc2c3c(ccc2c1)=c1ccccc1=C[CH-]3.C=[n+]1ccc2c(ccc3cc(C(C)(C)C)ccc32)c1=C1[C-]=C[C-]2C(=C1)c1ccccc1-c1ccccc12.C=[n+]1ccc2c(ccc3ccccc32)c1=c1[c-]cc(=C2C=CC=C[CH-]2)cc1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide?
The InChIKey is QEMMSFWCJWDOGO-UHFFFAOYSA-R. The full InChI is InChI=1S/C36H28N.C34H24N.C26H18N.2C24H22N.C22H18N.C16H18N.C13H12N.C11H20O2.3C5H8O2.4Ir/c1-36(2,3)25-15-18-26-23(21-25)13-17-33-32(26)19-20-37(4)35(33)24-14-16-31-29-11-6-5-9-27(29)28-10-7-8-12-30(28)34(31)22-24;1-21-18-32-33(31-11-7-6-9-26(21)31)22(2)20-35(3)34(32)25-14-15-28-24(19-25)13-17-29-27-10-5-4-8-23(27)12-16-30(28)29;1-27-18-17-24-23-10-6-5-9-21(23)15-16-25(24)26(27)22-13-11-20(12-14-22)19-7-3-2-4-8-19;1-24(2,3)19-10-7-9-18(16-19)23-22-13-12-17-8-5-6-11-20(17)21(22)14-15-25(23)4;1-24(2,3)19-11-13-20-18(16-19)10-12-22-21(20)14-15-25(4)23(22)17-8-6-5-7-9-17;1-15-8-9-18(14-16(15)2)22-21-11-10-17-6-4-5-7-19(17)20(21)12-13-23(22)3;1-16(2,3)14-10-11-17(4)15(12-14)13-8-6-5-7-9-13;1-11-8-9-14(2)13(10-11)12-6-4-3-5-7-12;1-10(2,3)8(12)7-9(13)11(4,5)6;3*1-4(6)3-5(2)7;;;;/h5-13,15-22H,4H2,1-3H3;4-13,15-20H,3H2,1-2H3;2-13,15-18H,1H2;2*5-8,10-16H,4H2,1-3H3;4-8,10-14H,3H2,1-2H3;5-8,10-12H,4H2,1-3H3;3-6,8-10H,2H2,1H3;7,12H,1-6H3;3*3,6H,1-2H3;;;;/q8*-1;;;;;;;;/p+4.
What are the key properties of 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide?
4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide has a molecular weight of 3875.03 g/mol, XLogP of 46.56, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-1-methylidene-2-phenylpyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-(3H-triphenylene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;4-(4-cyclohexa-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,5-dihydrochrysene-3,5-diid-2-ylidene)-1,6-dimethyl-3-methylidenebenzo[f]isoquinolin-3-ium;4-(3,4-dimethylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-methyl-1-methylidene-2-phenylpyridin-1-ium-2-ide is sourced from PubChem (CID 157249842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).