14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum

C104H100N10O2Pt+4 — CID 158167380

IUPAC14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(C)(C)c1cc2n(n1)C[n+]1ccc3ccccc3c1-2.CCCCCCCCc1ccc2c(c1)C[n+]1ccc3ccccc3c1-2.Cc1cc2ccccc2[n+]2c1-c1ccccc1C2.Cc1cc2n(n1)C[n+]1ccccc1-2.[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc2c(c1)C[n+]1ccc3ccccc3c1-2
InChIInChI=1S/C24H28N.C17H18N3.C17H14N.C16H12N.C15H10N.C10H10N3.C5H8O2.Pt/c1-2-3-4-5-6-7-10-19-13-14-23-21(17-19)18-25-16-15-20-11-8-9-12-22(20)24(23)25;1-17(2,3)15-10-14-16-13-7-5-4-6-12(13)8-9-19(16)11-20(14)18-15;1-12-10-13-6-3-5-9-16(13)18-11-14-7-2-4-8-15(14)17(12)18;1-3-7-14-12(5-1)9-10-17-11-13-6-2-4-8-15(13)16(14)17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-8-6-10-9-4-2-3-5-12(9)7-13(10)11-8;1-4(6)3-5(2)7;/h8-9,11-17H,2-7,10,18H2,1H3;4-10H,11H2,1-3H3;2-10H,11H2,1H3;1-10H,11H2;1-7,9-11H;2-6H,7H2,1H3;3,6H,1-2H3;/q4*+1;-1;+1;;
InChIKeyJZSJWPFAUYAEAN-UHFFFAOYSA-N
MW1717.09 g/mol
LogP21.49
Rot. Bonds9

About 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum

14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum (PubChem CID 158167380) has the molecular formula C104H100N10O2Pt+4 and a molecular weight of 1717.09 g/mol. Its IUPAC name is 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum.

Molecular Properties

Compound Name14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
PubChem CID158167380
Molecular FormulaC104H100N10O2Pt+4
Molecular Weight1717.09 g/mol
Exact Mass1715.77
IUPAC Name14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(C)(C)c1cc2n(n1)C[n+]1ccc3ccccc3c1-2.CCCCCCCCc1ccc2c(c1)C[n+]1ccc3ccccc3c1-2.Cc1cc2ccccc2[n+]2c1-c1ccccc1C2.Cc1cc2n(n1)C[n+]1ccccc1-2.[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc2c(c1)C[n+]1ccc3ccccc3c1-2
InChIInChI=1S/C24H28N.C17H18N3.C17H14N.C16H12N.C15H10N.C10H10N3.C5H8O2.Pt/c1-2-3-4-5-6-7-10-19-13-14-23-21(17-19)18-25-16-15-20-11-8-9-12-22(20)24(23)25;1-17(2,3)15-10-14-16-13-7-5-4-6-12(13)8-9-19(16)11-20(14)18-15;1-12-10-13-6-3-5-9-16(13)18-11-14-7-2-4-8-15(14)17(12)18;1-3-7-14-12(5-1)9-10-17-11-13-6-2-4-8-15(13)16(14)17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-8-6-10-9-4-2-3-5-12(9)7-13(10)11-8;1-4(6)3-5(2)7;/h8-9,11-17H,2-7,10,18H2,1H3;4-10H,11H2,1-3H3;2-10H,11H2,1H3;1-10H,11H2;1-7,9-11H;2-6H,7H2,1H3;3,6H,1-2H3;/q4*+1;-1;+1;;
InChIKeyJZSJWPFAUYAEAN-UHFFFAOYSA-N
XLogP21.49
TPSA105.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001717.09
LogP ≤ 521.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum with MolForge

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Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;bis(4-hydroxypent-3-en-2-one);bis(iridium);8H-isoindolo[1,2-a]isoquinolin-7-ium;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
CID 158037382
4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine
CID 162025800
1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
CID 158471763
2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline
CID 161346191
2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline
CID 158615946
bis(2-(9,9-dimethylfluoren-2-yl)-7-ethyl-9,9-dimethylfluorene);4-hydroxypent-3-en-2-one;iridium;bis(1-phenylisoquinoline)
CID 159758590
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);heptakis(iridium);methane;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol
CID 158695577
11-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
CID 58761341
(Z)-4-hydroxypent-3-en-2-one;iridium(3+);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;1-phenylisoquinoline
CID 156674454
16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium
CID 160965063
CID 158078780
CID 158078780
bis(1-(4-ethylbenzene-6-id-1-yl)isoquinoline);bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(2-phenylpyridine)
CID 159880437

Frequently Asked Questions

What is the IUPAC name of 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
The IUPAC name of 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum (CID 158167380) is 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum.
What is the SMILES notation for 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
The canonical SMILES for 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum is CC(=O)C=C(C)O.CC(C)(C)c1cc2n(n1)C[n+]1ccc3ccccc3c1-2.CCCCCCCCc1ccc2c(c1)C[n+]1ccc3ccccc3c1-2.Cc1cc2ccccc2[n+]2c1-c1ccccc1C2.Cc1cc2n(n1)C[n+]1ccccc1-2.[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc2c(c1)C[n+]1ccc3ccccc3c1-2.
What is the InChIKey of 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
The InChIKey is JZSJWPFAUYAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N.C17H18N3.C17H14N.C16H12N.C15H10N.C10H10N3.C5H8O2.Pt/c1-2-3-4-5-6-7-10-19-13-14-23-21(17-19)18-25-16-15-20-11-8-9-12-22(20)24(23)25;1-17(2,3)15-10-14-16-13-7-5-4-6-12(13)8-9-19(16)11-20(14)18-15;1-12-10-13-6-3-5-9-16(13)18-11-14-7-2-4-8-15(14)17(12)18;1-3-7-14-12(5-1)9-10-17-11-13-6-2-4-8-15(13)16(14)17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-8-6-10-9-4-2-3-5-12(9)7-13(10)11-8;1-4(6)3-5(2)7;/h8-9,11-17H,2-7,10,18H2,1H3;4-10H,11H2,1-3H3;2-10H,11H2,1H3;1-10H,11H2;1-7,9-11H;2-6H,7H2,1H3;3,6H,1-2H3;/q4*+1;-1;+1;;.
What are the key properties of 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum has a molecular weight of 1717.09 g/mol, XLogP of 21.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum is sourced from PubChem (CID 158167380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).