3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum

C103H77N14OPt3S-9 — CID 158279076

IUPAC3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum
SMILESCc1cc(-c2[c-]cc(C(C)(C)C)cc2)[n-]n1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(C)n(-c2[c-]cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)n1.[Pt].[Pt].[Pt].[c-]1cc(-c2ccc3c(c2)oc2ccccc23)ccc1-n1cccn1.[c-]1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-n1cccn1.[c-]1ccccc1-c1ncn[n-]1
InChIInChI=1S/C29H22N3.C21H13N2O.C21H13N2S.C14H16N2.C10H8N2.C8H5N3.3Pt/c1-20-18-21(2)32(30-20)25-15-12-22(13-16-25)23-14-17-27-26-10-6-7-11-28(26)31(29(27)19-23)24-8-4-3-5-9-24;2*1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23;1-10-9-13(16-15-10)11-5-7-12(8-6-11)14(2,3)4;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2-4-7(5-3-1)8-9-6-10-11-8;;;/h3-15,17-19H,1-2H3;2*1-9,11-14H;5,7-9H,1-4H3;2-5,7H,1H3;1-4,6H;;;/q3*-1;3*-2;;;
InChIKeyCCOFFBGMFICIKW-UHFFFAOYSA-N
MW2144.15 g/mol
LogP23.82
Rot. Bonds10

About 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum

3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum (PubChem CID 158279076) has the molecular formula C103H77N14OPt3S-9 and a molecular weight of 2144.15 g/mol. Its IUPAC name is 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum.

Molecular Properties

Compound Name3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum
PubChem CID158279076
Molecular FormulaC103H77N14OPt3S-9
Molecular Weight2144.15 g/mol
Exact Mass2142.51
IUPAC Name3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum
SMILESCc1cc(-c2[c-]cc(C(C)(C)C)cc2)[n-]n1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(C)n(-c2[c-]cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)n1.[Pt].[Pt].[Pt].[c-]1cc(-c2ccc3c(c2)oc2ccccc23)ccc1-n1cccn1.[c-]1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-n1cccn1.[c-]1ccccc1-c1ncn[n-]1
InChIInChI=1S/C29H22N3.C21H13N2O.C21H13N2S.C14H16N2.C10H8N2.C8H5N3.3Pt/c1-20-18-21(2)32(30-20)25-15-12-22(13-16-25)23-14-17-27-26-10-6-7-11-28(26)31(29(27)19-23)24-8-4-3-5-9-24;2*1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23;1-10-9-13(16-15-10)11-5-7-12(8-6-11)14(2,3)4;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2-4-7(5-3-1)8-9-6-10-11-8;;;/h3-15,17-19H,1-2H3;2*1-9,11-14H;5,7-9H,1-4H3;2-5,7H,1H3;1-4,6H;;;/q3*-1;3*-2;;;
InChIKeyCCOFFBGMFICIKW-UHFFFAOYSA-N
XLogP23.82
TPSA165.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002144.15
LogP ≤ 523.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum with MolForge

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Related Compounds

CID 59358566
CID 59358566
CID 59359312
CID 59359312
14-[3-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaene;iridium;4-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-1-phenylpyrazole
CID 59359476
3-Dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 129103428
(Z)-but-2-ene;1-[2-(3,5-diphenylphenyl)pyrazol-3-yl]-3-phenylpropane-1,3-diimine;6-[5-(3,5-diphenyl-1,2,4-triazol-4-yl)thiophen-2-yl]-[1]benzofuro[2,3-b]indole
CID 144724850
3-dibenzofuran-4-yl-1-(4-hexyl-2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole;5-(3H-dibenzothiophen-3-id-2-yl)-3-(3,5-dimethylphenyl)-1-(4-hexyl-2,6-dimethylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazole;4-[1-[2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]-5-phenyl-1,2,4-triazol-3-yl]-2,6-dimethylpyridine;tetrakis(iridium)
CID 157054352
3-Dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 157100667
3,9-Dimethyl-2-(1,2,5-trimethyl-1,2,4-triazol-2-ium-3-yl)carbazole;ethane;1,2,4,5,6,7,11-heptamethylphenanthro[9,10-d]triazol-1-ium;5-methyl-4-(1,2,5-trimethyl-1,2,4-triazol-2-ium-3-yl)pyrimidine;1,2,3-trimethyl-5-(2-methyldibenzofuran-3-yl)-1,2,4-triazol-1-ium;1,2,3-trimethyl-5-(2-methyldibenzothiophen-3-yl)-1,2,4-triazol-1-ium
CID 157143661
15,16-Diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene
CID 157169954
19-[4,6-Bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-15-thia-4,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;8-dibenzofuran-2-yl-4-(2,5-diphenyl-1,2,4-triazol-3-yl)-19-phenyl-15-thia-4,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,20,22,24,26-dodecaene;14-(3,5-dimethylphenyl)-29-(2,4-diphenylpyrimidin-5-yl)-18-thia-14,29-diazaoctacyclo[15.14.0.03,15.04,13.07,12.019,31.022,30.023,28]hentriaconta-1(17),2,4(13),5,7,9,11,15,19(31),20,22(30),23,25,27-tetradecaene
CID 157184092
2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)
CID 157185369
4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole
CID 157188033

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
The IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum (CID 158279076) is 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum.
What is the SMILES notation for 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
The canonical SMILES for 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum is Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)[n-]n1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(C)n(-c2[c-]cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)n1.[Pt].[Pt].[Pt].[c-]1cc(-c2ccc3c(c2)oc2ccccc23)ccc1-n1cccn1.[c-]1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-n1cccn1.[c-]1ccccc1-c1ncn[n-]1.
What is the InChIKey of 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
The InChIKey is CCOFFBGMFICIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N3.C21H13N2O.C21H13N2S.C14H16N2.C10H8N2.C8H5N3.3Pt/c1-20-18-21(2)32(30-20)25-15-12-22(13-16-25)23-14-17-27-26-10-6-7-11-28(26)31(29(27)19-23)24-8-4-3-5-9-24;2*1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23;1-10-9-13(16-15-10)11-5-7-12(8-6-11)14(2,3)4;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2-4-7(5-3-1)8-9-6-10-11-8;;;/h3-15,17-19H,1-2H3;2*1-9,11-14H;5,7-9H,1-4H3;2-5,7H,1H3;1-4,6H;;;/q3*-1;3*-2;;;.
What are the key properties of 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum has a molecular weight of 2144.15 g/mol, XLogP of 23.82, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylbenzene-6-id-1-yl)-5-methylpyrazol-2-ide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyrazole;2-[4-(3,5-dimethylpyrazol-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;3-methyl-5-phenylpyrazol-1-ide;3-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum is sourced from PubChem (CID 158279076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).