4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine

C208H192Ir4N10O9-4 — CID 158091257

IUPAC4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine
SMILESC=[N+]1C=CC(C(C)(C)C)=C[C-]1c1[c-]cc2c(c1)C(C)(C)c1ccccc1-2.C=[N+]1C=CC=C[C-]1c1[c-]cc2ccccc2c1.C=[N+]1C=CC=C[C-]1c1[c-]ccc(-c2ccc(C)nc2C)c1.C=[N+]1C=CC=C[C-]1c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.C=[N+]1C=Cc2c(ccc3cc(C(C)(C)C)ccc23)[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(C(C)(C)C)c1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(Oc2ccccc2)c1.C=[n+]1ccc2c(ccc3ccccc32)c1=C1[C-]=C[C-]2C=CC=CC2=C1.[H]/[O+]=C(/C=C(C)O)Cc1ccccc1.[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/C26H18NO.C25H26N.C24H19N2.C24H16N.2C24H22N.C19H17N2.C16H12N.C11H12O2.3C5H8O2.4Ir/c1-27-17-16-24-23-13-6-5-8-19(23)14-15-25(24)26(27)20-9-7-12-22(18-20)28-21-10-3-2-4-11-21;1-24(2,3)18-13-14-26(6)23(16-18)17-11-12-20-19-9-7-8-10-21(19)25(4,5)22(20)15-17;1-25-18-9-8-17-24(25)20-11-10-16-23(19-20)26(21-12-4-2-5-13-21)22-14-6-3-7-15-22;1-25-15-14-22-21-9-5-4-7-18(21)12-13-23(22)24(25)20-11-10-17-6-2-3-8-19(17)16-20;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;1-14-10-11-18(15(2)20-14)16-7-6-8-17(13-16)19-9-4-5-12-21(19)3;1-17-11-5-4-8-16(17)15-10-9-13-6-2-3-7-14(13)12-15;1-9(12)7-11(13)8-10-5-3-2-4-6-10;3*1-4(6)3-5(2)7;;;;/h2-8,10-18H,1H2;7-10,12-16H,6H2,1-5H3;2-10,12-19H,1H2;2-10,12-16H,1H2;2*5-8,10-16H,4H2,1-3H3;4-7,9-13H,3H2,1-2H3;2-9,11-12H,1H2;2-7,12H,8H2,1H3;3*3,6H,1-2H3;;;;/q8*-1;;;;;;;;/p+4
InChIKeyKTZCORJUTBNZCK-UHFFFAOYSA-R
MW3744.75 g/mol
LogP45.20
Rot. Bonds19

About 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine

4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine (PubChem CID 158091257) has the molecular formula C208H192Ir4N10O9-4 and a molecular weight of 3744.75 g/mol. Its IUPAC name is 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine.

Molecular Properties

Compound Name4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine
PubChem CID158091257
Molecular FormulaC208H192Ir4N10O9-4
Molecular Weight3744.75 g/mol
Exact Mass3745.34
IUPAC Name4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine
SMILESC=[N+]1C=CC(C(C)(C)C)=C[C-]1c1[c-]cc2c(c1)C(C)(C)c1ccccc1-2.C=[N+]1C=CC=C[C-]1c1[c-]cc2ccccc2c1.C=[N+]1C=CC=C[C-]1c1[c-]ccc(-c2ccc(C)nc2C)c1.C=[N+]1C=CC=C[C-]1c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.C=[N+]1C=Cc2c(ccc3cc(C(C)(C)C)ccc23)[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(C(C)(C)C)c1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(Oc2ccccc2)c1.C=[n+]1ccc2c(ccc3ccccc32)c1=C1[C-]=C[C-]2C=CC=CC2=C1.[H]/[O+]=C(/C=C(C)O)Cc1ccccc1.[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/C26H18NO.C25H26N.C24H19N2.C24H16N.2C24H22N.C19H17N2.C16H12N.C11H12O2.3C5H8O2.4Ir/c1-27-17-16-24-23-13-6-5-8-19(23)14-15-25(24)26(27)20-9-7-12-22(18-20)28-21-10-3-2-4-11-21;1-24(2,3)18-13-14-26(6)23(16-18)17-11-12-20-19-9-7-8-10-21(19)25(4,5)22(20)15-17;1-25-18-9-8-17-24(25)20-11-10-16-23(19-20)26(21-12-4-2-5-13-21)22-14-6-3-7-15-22;1-25-15-14-22-21-9-5-4-7-18(21)12-13-23(22)24(25)20-11-10-17-6-2-3-8-19(17)16-20;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;1-14-10-11-18(15(2)20-14)16-7-6-8-17(13-16)19-9-4-5-12-21(19)3;1-17-11-5-4-8-16(17)15-10-9-13-6-2-3-7-14(13)12-15;1-9(12)7-11(13)8-10-5-3-2-4-6-10;3*1-4(6)3-5(2)7;;;;/h2-8,10-18H,1H2;7-10,12-16H,6H2,1-5H3;2-10,12-19H,1H2;2-10,12-16H,1H2;2*5-8,10-16H,4H2,1-3H3;4-7,9-13H,3H2,1-2H3;2-9,11-12H,1H2;2-7,12H,8H2,1H3;3*3,6H,1-2H3;;;;/q8*-1;;;;;;;;/p+4
InChIKeyKTZCORJUTBNZCK-UHFFFAOYSA-R
XLogP45.20
TPSA218.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms231
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003744.75
LogP ≤ 545.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(3-tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;8-tert-butyl-4-phenylbenzo[f]isoquinoline;2,6-dimethyl-3-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium(3-));4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline;2-(3H-naphthalen-3-id-2-yl)pyridine;4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinoline
CID 161331812
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
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium
CID 176775894
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 59798570
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
10,10-dimethyl-N-phenyl-N-[3-(2-phenylphenyl)phenyl]pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-amine
CID 168740059
1-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]isoquinoline;1-hydroxyethylideneoxidanium;iridium
CID 58986776
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
8-tert-butyl-1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775809
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286

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;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine?
The IUPAC name of 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine (CID 158091257) is 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine.
What is the SMILES notation for 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine?
The canonical SMILES for 4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine is C=[N+]1C=CC(C(C)(C)C)=C[C-]1c1[c-]cc2c(c1)C(C)(C)c1ccccc1-2.C=[N+]1C=CC=C[C-]1c1[c-]cc2ccccc2c1.C=[N+]1C=CC=C[C-]1c1[c-]ccc(-c2ccc(C)nc2C)c1.C=[N+]1C=CC=C[C-]1c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.C=[N+]1C=Cc2c(ccc3cc(C(C)(C)C)ccc23)[C-]1c1[c-]cccc1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(C(C)(C)C)c1.C=[N+]1C=Cc2c(ccc3ccccc23)[C-]1c1[c-]ccc(Oc2ccccc2)c1.C=[n+]1ccc2c(ccc3ccccc32)c1=C1[C-]=C[C-]2C=CC=CC2=C1.[H]/[O+]=C(/C=C(C)O)Cc1ccccc1.[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;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine?
The InChIKey is KTZCORJUTBNZCK-UHFFFAOYSA-R. The full InChI is InChI=1S/C26H18NO.C25H26N.C24H19N2.C24H16N.2C24H22N.C19H17N2.C16H12N.C11H12O2.3C5H8O2.4Ir/c1-27-17-16-24-23-13-6-5-8-19(23)14-15-25(24)26(27)20-9-7-12-22(18-20)28-21-10-3-2-4-11-21;1-24(2,3)18-13-14-26(6)23(16-18)17-11-12-20-19-9-7-8-10-21(19)25(4,5)22(20)15-17;1-25-18-9-8-17-24(25)20-11-10-16-23(19-20)26(21-12-4-2-5-13-21)22-14-6-3-7-15-22;1-25-15-14-22-21-9-5-4-7-18(21)12-13-23(22)24(25)20-11-10-17-6-2-3-8-19(17)16-20;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;1-14-10-11-18(15(2)20-14)16-7-6-8-17(13-16)19-9-4-5-12-21(19)3;1-17-11-5-4-8-16(17)15-10-9-13-6-2-3-7-14(13)12-15;1-9(12)7-11(13)8-10-5-3-2-4-6-10;3*1-4(6)3-5(2)7;;;;/h2-8,10-18H,1H2;7-10,12-16H,6H2,1-5H3;2-10,12-19H,1H2;2-10,12-16H,1H2;2*5-8,10-16H,4H2,1-3H3;4-7,9-13H,3H2,1-2H3;2-9,11-12H,1H2;2-7,12H,8H2,1H3;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;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine?
4-(3-tert-butylbenzene-6-id-1-yl)-3-methylidenebenzo[f]isoquinolin-3-ium-4-ide;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine has a molecular weight of 3744.75 g/mol, XLogP of 45.20, 19 rotatable bonds, 4 hydrogen bond donors, and 7 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;4-tert-butyl-2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylidenepyridin-1-ium-2-ide;8-tert-butyl-3-methylidene-4-phenylbenzo[f]isoquinolin-3-ium-4-ide;2,6-dimethyl-3-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)benzene-4-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-ylideneoxidanium);(4-hydroxy-1-phenylpent-3-en-2-ylidene)oxidanium;tetrakis(iridium);3-methylidene-4-(3H-naphthalene-3,4a-diid-2-ylidene)benzo[f]isoquinolin-3-ium;1-methylidene-2-(3H-naphthalen-3-id-2-yl)pyridin-1-ium-2-ide;3-methylidene-4-(3-phenoxybenzene-6-id-1-yl)benzo[f]isoquinolin-3-ium-4-ide;3-(1-methylidenepyridin-1-ium-2-id-2-yl)-N,N-diphenylbenzene-4-id-1-amine is sourced from PubChem (CID 158091257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).