7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)

C52H49N5Pt — CID 155633345

IUPAC7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)n5c(C)c(C)nc5c4)c4ccccc4-c4ccccc43)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C52H49N5.Pt/c1-32-34(3)56-47(46-29-37(24-25-53-46)50(5,6)7)30-40(31-48(56)54-32)52(44-22-16-14-20-42(44)43-21-15-17-23-45(43)52)39-26-38(51(8,9)10)27-41(28-39)57-35(4)49(33(2)55-57)36-18-12-11-13-19-36;/h11-27,29,31H,1-10H3;/q-2;+2
InChIKeyQYWSODALIUYINC-UHFFFAOYSA-N
MW939.08 g/mol
LogP12.04
Rot. Bonds5

About 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)

7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (PubChem CID 155633345) has the molecular formula C52H49N5Pt and a molecular weight of 939.08 g/mol. Its IUPAC name is 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).

Molecular Properties

Compound Name7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
PubChem CID155633345
Molecular FormulaC52H49N5Pt
Molecular Weight939.08 g/mol
Exact Mass938.36
IUPAC Name7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)n5c(C)c(C)nc5c4)c4ccccc4-c4ccccc43)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C52H49N5.Pt/c1-32-34(3)56-47(46-29-37(24-25-53-46)50(5,6)7)30-40(31-48(56)54-32)52(44-22-16-14-20-42(44)43-21-15-17-23-45(43)52)39-26-38(51(8,9)10)27-41(28-39)57-35(4)49(33(2)55-57)36-18-12-11-13-19-36;/h11-27,29,31H,1-10H3;/q-2;+2
InChIKeyQYWSODALIUYINC-UHFFFAOYSA-N
XLogP12.04
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.08
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) with MolForge

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Related Compounds

US8796304, 2-[2-(5,8-Bis(trideuteromethyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-5,5-dideutero-5H-imidazo[2,1-a]isoindole
CID 57331250
US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-5H-imidazo[2,1-a]isoindole
CID 69670974
2-Methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
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US8796304, 2-[2-(5-Methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-5H-imidazo[2,1-a]isoindole
CID 69670828
US10906905, Example 12
CID 134439695
US10906905, Example 12-1
CID 134439801
US10906905, Example 12-2
CID 139418909
3-{[5-(5-ethylpyridin-2-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 50966407
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-methyl-4-phenyl-1,2,4-triazole;iridium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium
CID 58426466
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N,N-bis[(1-methyl-5-phenylimidazol-2-yl)methyl]ethanamine
CID 86287839
1-Methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
CID 140775464
1-Cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;tetrakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-phenylpyridine
CID 157540868

Frequently Asked Questions

What is the IUPAC name of 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The IUPAC name of 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (CID 155633345) is 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).
What is the SMILES notation for 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The canonical SMILES for 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is Cc1nn(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)n5c(C)c(C)nc5c4)c4ccccc4-c4ccccc43)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2].
What is the InChIKey of 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The InChIKey is QYWSODALIUYINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49N5.Pt/c1-32-34(3)56-47(46-29-37(24-25-53-46)50(5,6)7)30-40(31-48(56)54-32)52(44-22-16-14-20-42(44)43-21-15-17-23-45(43)52)39-26-38(51(8,9)10)27-41(28-39)57-35(4)49(33(2)55-57)36-18-12-11-13-19-36;/h11-27,29,31H,1-10H3;/q-2;+2.
What are the key properties of 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) has a molecular weight of 939.08 g/mol, XLogP of 12.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is sourced from PubChem (CID 155633345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).