6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))

C91H59F9N12O3Pt3 — CID 157071401

IUPAC6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))
SMILESCc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)cc(C(F)(F)F)c4)ccc3c3cc(C)ccc32)nc1.Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)cc(C(F)(F)F)c4)ccc3c3ccccc32)nc1.Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)ccc4)c(C(F)(F)F)cc3c3ccccc32)nc1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C31H21F3N4O.2C30H19F3N4O.3Pt/c1-18-4-7-27-26(10-18)25-6-5-21(14-28(25)38(27)30-36-16-20(3)17-37-30)22-12-23(31(32,33)34)15-24(13-22)39-29-11-19(2)8-9-35-29;1-18-10-11-34-28(12-18)38-21-7-5-6-20(13-21)23-15-27-24(14-25(23)30(31,32)33)22-8-3-4-9-26(22)37(27)29-35-16-19(2)17-36-29;1-18-9-10-34-28(11-18)38-23-13-21(12-22(15-23)30(31,32)33)20-7-8-25-24-5-3-4-6-26(24)37(27(25)14-20)29-35-16-19(2)17-36-29;;;/h4-12,15-17H,1-3H3;3-12,14,16-17H,1-2H3;3-12,15-17H,1-2H3;;;/q3*-2;3*+2
InChIKeyLFJWJNPNSTXVAN-UHFFFAOYSA-N
MW2124.77 g/mol
LogP23.29
Rot. Bonds12

About 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))

6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)) (PubChem CID 157071401) has the molecular formula C91H59F9N12O3Pt3 and a molecular weight of 2124.77 g/mol. Its IUPAC name is 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)).

Molecular Properties

Compound Name6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))
PubChem CID157071401
Molecular FormulaC91H59F9N12O3Pt3
Molecular Weight2124.77 g/mol
Exact Mass2123.36
IUPAC Name6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))
SMILESCc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)cc(C(F)(F)F)c4)ccc3c3cc(C)ccc32)nc1.Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)cc(C(F)(F)F)c4)ccc3c3ccccc32)nc1.Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)ccc4)c(C(F)(F)F)cc3c3ccccc32)nc1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C31H21F3N4O.2C30H19F3N4O.3Pt/c1-18-4-7-27-26(10-18)25-6-5-21(14-28(25)38(27)30-36-16-20(3)17-37-30)22-12-23(31(32,33)34)15-24(13-22)39-29-11-19(2)8-9-35-29;1-18-10-11-34-28(12-18)38-21-7-5-6-20(13-21)23-15-27-24(14-25(23)30(31,32)33)22-8-3-4-9-26(22)37(27)29-35-16-19(2)17-36-29;1-18-9-10-34-28(11-18)38-23-13-21(12-22(15-23)30(31,32)33)20-7-8-25-24-5-3-4-6-26(24)37(27(25)14-20)29-35-16-19(2)17-36-29;;;/h4-12,15-17H,1-3H3;3-12,14,16-17H,1-2H3;3-12,15-17H,1-2H3;;;/q3*-2;3*+2
InChIKeyLFJWJNPNSTXVAN-UHFFFAOYSA-N
XLogP23.29
TPSA158.49 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002124.77
LogP ≤ 523.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
The IUPAC name of 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)) (CID 157071401) is 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)).
What is the SMILES notation for 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
The canonical SMILES for 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)) is Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)cc(C(F)(F)F)c4)ccc3c3cc(C)ccc32)nc1.Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)cc(C(F)(F)F)c4)ccc3c3ccccc32)nc1.Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)ccc4)c(C(F)(F)F)cc3c3ccccc32)nc1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
The InChIKey is LFJWJNPNSTXVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F3N4O.2C30H19F3N4O.3Pt/c1-18-4-7-27-26(10-18)25-6-5-21(14-28(25)38(27)30-36-16-20(3)17-37-30)22-12-23(31(32,33)34)15-24(13-22)39-29-11-19(2)8-9-35-29;1-18-10-11-34-28(12-18)38-21-7-5-6-20(13-21)23-15-27-24(14-25(23)30(31,32)33)22-8-3-4-9-26(22)37(27)29-35-16-19(2)17-36-29;1-18-9-10-34-28(11-18)38-23-13-21(12-22(15-23)30(31,32)33)20-7-8-25-24-5-3-4-6-26(24)37(27(25)14-20)29-35-16-19(2)17-36-29;;;/h4-12,15-17H,1-3H3;3-12,14,16-17H,1-2H3;3-12,15-17H,1-2H3;;;/q3*-2;3*+2.
What are the key properties of 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)) has a molecular weight of 2124.77 g/mol, XLogP of 23.29, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+)) is sourced from PubChem (CID 157071401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).