9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C48H36F3N3OPtS — CID 165168076

IUPAC9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cc(-c5c(C(C)C)cccc5C(C)C)cc(-n5c6[c-]cccc6c6ccccc65)n4)n3)c3ccccc32)s1.[Pt+2]
InChIInChI=1S/C48H36F3N3OS.Pt/c1-27(2)31-17-12-18-32(28(3)4)46(31)30-24-44(54-41-19-10-8-15-35(41)36-16-9-11-20-42(36)54)53-45(25-30)55-47-39(48(49,50)51)21-22-40(52-47)37-26-43-38(23-29(5)56-43)34-14-7-6-13-33(34)37;/h6-19,21-25,27-28H,1-5H3;/q-2;+2
InChIKeyJHNUWSOLMJPHHD-UHFFFAOYSA-N
MW954.98 g/mol
LogP14.24
Rot. Bonds7

About 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 165168076) has the molecular formula C48H36F3N3OPtS and a molecular weight of 954.98 g/mol. Its IUPAC name is 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
PubChem CID165168076
Molecular FormulaC48H36F3N3OPtS
Molecular Weight954.98 g/mol
Exact Mass954.22
IUPAC Name9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cc(-c5c(C(C)C)cccc5C(C)C)cc(-n5c6[c-]cccc6c6ccccc65)n4)n3)c3ccccc32)s1.[Pt+2]
InChIInChI=1S/C48H36F3N3OS.Pt/c1-27(2)31-17-12-18-32(28(3)4)46(31)30-24-44(54-41-19-10-8-15-35(41)36-16-9-11-20-42(36)54)53-45(25-30)55-47-39(48(49,50)51)21-22-40(52-47)37-26-43-38(23-29(5)56-43)34-14-7-6-13-33(34)37;/h6-19,21-25,27-28H,1-5H3;/q-2;+2
InChIKeyJHNUWSOLMJPHHD-UHFFFAOYSA-N
XLogP14.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.98
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) with MolForge

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Related Compounds

5-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)
CID 165167930
6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)
CID 165167970
9-[4-[2,6-Di(propan-2-yl)phenyl]-6-[[6-(2-methylbenzo[e][1]benzothiol-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole
CID 165168077
8-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;platinum(2+)
CID 145840127
6-(3H-dibenzothiophen-3-id-4-yl)-N-[6-(phenoxy)-2-pyridinyl]-N-phenylpyridin-2-amine;platinum(2+)
CID 145840137
9-[6-[[6-(3H-dibenzothiophen-3-id-4-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 145840145
2-[[6-(3H-dibenzothiophen-3-id-4-yl)-2-pyridinyl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 145840314
2-[[6-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-yl-2-pyridinyl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 145840334
6-(3H-dibenzothiophen-3-id-4-yl)-N-[6-(phenoxy)-2-pyridinyl]-N-phenyl-4-propan-2-ylpyridin-2-amine;platinum(2+)
CID 145840352
CID 162777364
CID 162777364
3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)
CID 164727751
3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)
CID 164727849

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 165168076) is 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is Cc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cc(-c5c(C(C)C)cccc5C(C)C)cc(-n5c6[c-]cccc6c6ccccc65)n4)n3)c3ccccc32)s1.[Pt+2].
What is the InChIKey of 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is JHNUWSOLMJPHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36F3N3OS.Pt/c1-27(2)31-17-12-18-32(28(3)4)46(31)30-24-44(54-41-19-10-8-15-35(41)36-16-9-11-20-42(36)54)53-45(25-30)55-47-39(48(49,50)51)21-22-40(52-47)37-26-43-38(23-29(5)56-43)34-14-7-6-13-33(34)37;/h6-19,21-25,27-28H,1-5H3;/q-2;+2.
What are the key properties of 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 954.98 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 165168076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).