2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)

C52H55Cl2F6N7O2Pt — CID 139143110

IUPAC2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)
SMILESCC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(-c4cc(C(F)(F)F)[n-]n4)n3)(c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)c3cc(C(C)(C)C)ccc32)cc1.CO.CO.ClCCl.[Pt+2]
InChIInChI=1S/C49H45F6N7.CH2Cl2.2CH4O.Pt/c1-44(2,3)28-16-20-31(21-17-28)62-38-22-18-29(45(4,5)6)24-32(38)47(33-25-30(46(7,8)9)19-23-39(33)62,40-14-10-12-34(56-40)36-26-42(60-58-36)48(50,51)52)41-15-11-13-35(57-41)37-27-43(61-59-37)49(53,54)55;2-1-3;2*1-2;/h10-27H,1-9H3;1H2;2*2H,1H3;/q-2;;;;+2
InChIKeyOVNQKSYSSLVKTB-UHFFFAOYSA-N
MW1190.03 g/mol
LogP13.25
Rot. Bonds5

About 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)

2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+) (PubChem CID 139143110) has the molecular formula C52H55Cl2F6N7O2Pt and a molecular weight of 1190.03 g/mol. Its IUPAC name is 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+).

Molecular Properties

Compound Name2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)
PubChem CID139143110
Molecular FormulaC52H55Cl2F6N7O2Pt
Molecular Weight1190.03 g/mol
Exact Mass1188.33
IUPAC Name2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)
SMILESCC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(-c4cc(C(F)(F)F)[n-]n4)n3)(c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)c3cc(C(C)(C)C)ccc32)cc1.CO.CO.ClCCl.[Pt+2]
InChIInChI=1S/C49H45F6N7.CH2Cl2.2CH4O.Pt/c1-44(2,3)28-16-20-31(21-17-28)62-38-22-18-29(45(4,5)6)24-32(38)47(33-25-30(46(7,8)9)19-23-39(33)62,40-14-10-12-34(56-40)36-26-42(60-58-36)48(50,51)52)41-15-11-13-35(57-41)37-27-43(61-59-37)49(53,54)55;2-1-3;2*1-2;/h10-27H,1-9H3;1H2;2*2H,1H3;/q-2;;;;+2
InChIKeyOVNQKSYSSLVKTB-UHFFFAOYSA-N
XLogP13.25
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.03
LogP ≤ 513.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+) with MolForge

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Related Compounds

2-[2,7-Ditert-butyl-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]fluoren-9-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;dichloromethane;platinum(2+)
CID 139143109
2-(5-Ethyl-4-methylpyrazol-2-id-3-yl)-6-[3-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[3-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]pyridine;tetrakis(platinum(2+));3-[6-[3-[6-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-ide
CID 161275745

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)?
The IUPAC name of 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+) (CID 139143110) is 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+).
What is the SMILES notation for 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)?
The canonical SMILES for 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+) is CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(-c4cc(C(F)(F)F)[n-]n4)n3)(c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)c3cc(C(C)(C)C)ccc32)cc1.CO.CO.ClCCl.[Pt+2].
What is the InChIKey of 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)?
The InChIKey is OVNQKSYSSLVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45F6N7.CH2Cl2.2CH4O.Pt/c1-44(2,3)28-16-20-31(21-17-28)62-38-22-18-29(45(4,5)6)24-32(38)47(33-25-30(46(7,8)9)19-23-39(33)62,40-14-10-12-34(56-40)36-26-42(60-58-36)48(50,51)52)41-15-11-13-35(57-41)37-27-43(61-59-37)49(53,54)55;2-1-3;2*1-2;/h10-27H,1-9H3;1H2;2*2H,1H3;/q-2;;;;+2.
What are the key properties of 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+)?
2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+) has a molecular weight of 1190.03 g/mol, XLogP of 13.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-9-[6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]-2-pyridinyl]acridine;dichloromethane;methanol;platinum(2+) is sourced from PubChem (CID 139143110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).