6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))

C88H79F9N24Pt3 — CID 159229235

IUPAC6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))
SMILESCC(C)(C)c1ccc2cnc(-c3nc(C(F)(F)F)n[n-]3)cc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1cnc(-c2nc(C(F)(F)F)n[n-]2)c2ccccc12.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C24H22F3N4.C16H14F3N4.3C8H7N4.3Pt/c1-13(2)15-10-7-11-16(14(3)4)20(15)19-12-28-21(18-9-6-5-8-17(18)19)22-29-23(31-30-22)24(25,26)27;1-13(2)17-6-5-7-18(14(3)4)20(17)16-8-9-19-15(12-16)10-11-28-21(19)22-29-23(31-30-22)24(25,26)27;1-15(2,3)11-5-4-9-8-20-12(7-10(9)6-11)13-21-14(23-22-13)16(17,18)19;3*1-6-10-8(12-11-6)7-4-2-3-5-9-7;;;/h2*5-14H,1-4H3;4-8H,1-3H3;3*2-5H,1H3;;;/q6*-1;3*+2
InChIKeyKSRJOOSJSSXASZ-UHFFFAOYSA-N
MW2228.98 g/mol
LogP19.53
Rot. Bonds12

About 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))

6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)) (PubChem CID 159229235) has the molecular formula C88H79F9N24Pt3 and a molecular weight of 2228.98 g/mol. Its IUPAC name is 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)).

Molecular Properties

Compound Name6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))
PubChem CID159229235
Molecular FormulaC88H79F9N24Pt3
Molecular Weight2228.98 g/mol
Exact Mass2227.57
IUPAC Name6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))
SMILESCC(C)(C)c1ccc2cnc(-c3nc(C(F)(F)F)n[n-]3)cc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1cnc(-c2nc(C(F)(F)F)n[n-]2)c2ccccc12.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C24H22F3N4.C16H14F3N4.3C8H7N4.3Pt/c1-13(2)15-10-7-11-16(14(3)4)20(15)19-12-28-21(18-9-6-5-8-17(18)19)22-29-23(31-30-22)24(25,26)27;1-13(2)17-6-5-7-18(14(3)4)20(17)16-8-9-19-15(12-16)10-11-28-21(19)22-29-23(31-30-22)24(25,26)27;1-15(2,3)11-5-4-9-8-20-12(7-10(9)6-11)13-21-14(23-22-13)16(17,18)19;3*1-6-10-8(12-11-6)7-4-2-3-5-9-7;;;/h2*5-14H,1-4H3;4-8H,1-3H3;3*2-5H,1H3;;;/q6*-1;3*+2
InChIKeyKSRJOOSJSSXASZ-UHFFFAOYSA-N
XLogP19.53
TPSA316.62 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002228.98
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)) with MolForge

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Related Compounds

Bis(2-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(2-[4-[4-(1,1,2,2,3,3-hexafluoropropyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(iron(3+));tetraisothiocyanate
CID 139142845
Tetrakis(dimethyl(phenyl)phosphanium);bis(osmium(2+));bis(2-pyridin-2-ylpyridine);3-(trifluoromethyl)-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene;3-(trifluoromethyl)-5-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 168338209
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-dimethyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738721
2-[Bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))
CID 58756128
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 59729591
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 59729599
11'-Tert-butyl-10-methyl-12-propyl-4',18-bis(trifluoromethyl)spiro[10,11-diaza-13,23-diazoniaoctacyclo[27.2.2.14,8.114,23.122,26.07,14.09,13.016,21]hexatriaconta-1(32),4(36),5,7,9(13),11,16(21),17,19,22,24,26(34),29(33),30-tetradecaene-35,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
CID 123329303
5-[4-[1,2-Diethyl-4-[4-(trifluoromethyl)-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl]cyclobutyl]-3-isoquinolin-1-ylcyclohexa-1,5-dien-1-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 123829626
Bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+)
CID 145727148
5-tert-butyl-2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+)
CID 153425421
2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);3-phenyl-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline
CID 153425431
2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)
CID 153425463

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))?
The IUPAC name of 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)) (CID 159229235) is 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)).
What is the SMILES notation for 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))?
The canonical SMILES for 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)) is CC(C)(C)c1ccc2cnc(-c3nc(C(F)(F)F)n[n-]3)cc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1cnc(-c2nc(C(F)(F)F)n[n-]2)c2ccccc12.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))?
The InChIKey is KSRJOOSJSSXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22F3N4.C16H14F3N4.3C8H7N4.3Pt/c1-13(2)15-10-7-11-16(14(3)4)20(15)19-12-28-21(18-9-6-5-8-17(18)19)22-29-23(31-30-22)24(25,26)27;1-13(2)17-6-5-7-18(14(3)4)20(17)16-8-9-19-15(12-16)10-11-28-21(19)22-29-23(31-30-22)24(25,26)27;1-15(2,3)11-5-4-9-8-20-12(7-10(9)6-11)13-21-14(23-22-13)16(17,18)19;3*1-6-10-8(12-11-6)7-4-2-3-5-9-7;;;/h2*5-14H,1-4H3;4-8H,1-3H3;3*2-5H,1H3;;;/q6*-1;3*+2.
What are the key properties of 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+))?
6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)) has a molecular weight of 2228.98 g/mol, XLogP of 19.53, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);tris(platinum(2+)) is sourced from PubChem (CID 159229235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).