2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C30H15F6N3OPt — CID 153421148

IUPAC2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(F)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c1C(F)(F)F.[Pt+2]
InChIInChI=1S/C30H15F6N3O.Pt/c31-29(32,33)23-13-15-38-28(27(23)30(34,35)36)40-20-7-5-6-18(16-20)19-11-12-22-21-8-1-2-9-24(21)39(25(22)17-19)26-10-3-4-14-37-26;/h1-15H;/q-2;+2
InChIKeyGDPPFHNWTDZGRH-UHFFFAOYSA-N
MW742.54 g/mol
LogP8.67
Rot. Bonds4

About 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421148) has the molecular formula C30H15F6N3OPt and a molecular weight of 742.54 g/mol. Its IUPAC name is 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421148
Molecular FormulaC30H15F6N3OPt
Molecular Weight742.54 g/mol
Exact Mass742.08
IUPAC Name2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(F)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c1C(F)(F)F.[Pt+2]
InChIInChI=1S/C30H15F6N3O.Pt/c31-29(32,33)23-13-15-38-28(27(23)30(34,35)36)40-20-7-5-6-18(16-20)19-11-12-22-21-8-1-2-9-24(21)39(25(22)17-19)26-10-3-4-14-37-26;/h1-15H;/q-2;+2
InChIKeyGDPPFHNWTDZGRH-UHFFFAOYSA-N
XLogP8.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.54
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 10389831
10-Methyl-7-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pentan-3-yl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 44444325
9-Methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 86302601
9-(Difluoromethyl)-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 86302603
3-[2-[[3-(4-Fluorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole
CID 90656266
9-Methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
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4-(4,4-Difluoropiperidin-1-yl)-1-[(3-methoxyphenyl)methyl]pyrrolo[3,2-c]quinoline
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2-[4-[[3-(Oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
CID 54670307
4-Methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
CID 58548127
3-[3-[[3-(2-Fluoro-3-pyridinyl)-2-pyridinyl]oxy]propyl]-9-methylpyrido[2,3-b]indole
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9-Methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153421148) is 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is FC(F)(F)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c1C(F)(F)F.[Pt+2].
What is the InChIKey of 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is GDPPFHNWTDZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15F6N3O.Pt/c31-29(32,33)23-13-15-38-28(27(23)30(34,35)36)40-20-7-5-6-18(16-20)19-11-12-22-21-8-1-2-9-24(21)39(25(22)17-19)26-10-3-4-14-37-26;/h1-15H;/q-2;+2.
What are the key properties of 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 742.54 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).