5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))

C76H50N14Pt2S2 — CID 157258701

IUPAC5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
SMILESCn1ccnc1-c1cc(-c2ccccn2)[c-]c(-n2c3[c-]c(-c4nc5ccc(-c6nccn6C)cc5s4)ccc3c3ccccc32)c1.Cn1ccnc1-c1ccc2sc(-c3[c-]c4c(cc3)c3cc(-c5nccn5C)ccc3n4-c3[c-]c(-c4ccccn4)ccc3)nc2c1.[Pt+2].[Pt+2]
InChIInChI=1S/2C38H25N7S.2Pt/c1-43-18-16-40-36(43)25-10-13-33-30(21-25)29-12-9-27(38-42-32-22-26(11-14-35(32)46-38)37-41-17-19-44(37)2)23-34(29)45(33)28-7-5-6-24(20-28)31-8-3-4-15-39-31;1-43-17-15-40-36(43)24-11-13-32-35(23-24)46-38(42-32)25-10-12-30-29-7-3-4-9-33(29)45(34(30)22-25)28-20-26(31-8-5-6-14-39-31)19-27(21-28)37-41-16-18-44(37)2;;/h3-19,21-22H,1-2H3;3-19,21,23H,1-2H3;;/q2*-2;2*+2
InChIKeyCXLROJGXWFPSRZ-UHFFFAOYSA-N
MW1613.62 g/mol
LogP17.04
Rot. Bonds10

About 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))

5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) (PubChem CID 157258701) has the molecular formula C76H50N14Pt2S2 and a molecular weight of 1613.62 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)).

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
PubChem CID157258701
Molecular FormulaC76H50N14Pt2S2
Molecular Weight1613.62 g/mol
Exact Mass1612.31
IUPAC Name5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
SMILESCn1ccnc1-c1cc(-c2ccccn2)[c-]c(-n2c3[c-]c(-c4nc5ccc(-c6nccn6C)cc5s4)ccc3c3ccccc32)c1.Cn1ccnc1-c1ccc2sc(-c3[c-]c4c(cc3)c3cc(-c5nccn5C)ccc3n4-c3[c-]c(-c4ccccn4)ccc3)nc2c1.[Pt+2].[Pt+2]
InChIInChI=1S/2C38H25N7S.2Pt/c1-43-18-16-40-36(43)25-10-13-33-30(21-25)29-12-9-27(38-42-32-22-26(11-14-35(32)46-38)37-41-17-19-44(37)2)23-34(29)45(33)28-7-5-6-24(20-28)31-8-3-4-15-39-31;1-43-17-15-40-36(43)24-11-13-32-35(23-24)46-38(42-32)25-10-12-30-29-7-3-4-9-33(29)45(34(30)22-25)28-20-26(31-8-5-6-14-39-31)19-27(21-28)37-41-16-18-44(37)2;;/h3-19,21-22H,1-2H3;3-19,21,23H,1-2H3;;/q2*-2;2*+2
InChIKeyCXLROJGXWFPSRZ-UHFFFAOYSA-N
XLogP17.04
TPSA132.70 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.62
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) with MolForge

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Related Compounds

5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-[4-fluoro-3-[6-[2-(4-fluoro-3-methylphenyl)-5-(1H-imidazol-5-ylmethylamino)-3-pyridinyl]-1,3-benzothiazol-4-yl]-5-methylphenyl]pyridin-3-amine
CID 155371071
7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 158035796
3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-(carbazol-9-ylmethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-[(9-ethylcarbazol-3-yl)methyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;10-[6-(9-ethylcarbazol-3-yl)-2-pyridinyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-[(9-phenylcarbazol-3-yl)methyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158509663
CID 158910034
CID 158910034
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))
CID 159739287
[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)
CID 162216081
3-ethyl-2-[(E)-2-[9-(4-imidazol-1-ylbutyl)carbazol-3-yl]ethenyl]-1,3-benzothiazol-3-ium
CID 168284132
10-Phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenothiazine
CID 20606853
7-[4-[4-(3-Thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 21356990
5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
CID 57958352
8-[4,6-Bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058978

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
The IUPAC name of 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) (CID 157258701) is 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)).
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) is Cn1ccnc1-c1cc(-c2ccccn2)[c-]c(-n2c3[c-]c(-c4nc5ccc(-c6nccn6C)cc5s4)ccc3c3ccccc32)c1.Cn1ccnc1-c1ccc2sc(-c3[c-]c4c(cc3)c3cc(-c5nccn5C)ccc3n4-c3[c-]c(-c4ccccn4)ccc3)nc2c1.[Pt+2].[Pt+2].
What is the InChIKey of 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
The InChIKey is CXLROJGXWFPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H25N7S.2Pt/c1-43-18-16-40-36(43)25-10-13-33-30(21-25)29-12-9-27(38-42-32-22-26(11-14-35(32)46-38)37-41-17-19-44(37)2)23-34(29)45(33)28-7-5-6-24(20-28)31-8-3-4-15-39-31;1-43-17-15-40-36(43)24-11-13-32-35(23-24)46-38(42-32)25-10-12-30-29-7-3-4-9-33(29)45(34(30)22-25)28-20-26(31-8-5-6-14-39-31)19-27(21-28)37-41-16-18-44(37)2;;/h3-19,21-22H,1-2H3;3-19,21,23H,1-2H3;;/q2*-2;2*+2.
What are the key properties of 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) has a molecular weight of 1613.62 g/mol, XLogP of 17.04, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) is sourced from PubChem (CID 157258701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).