2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C28H20N4OPt — CID 140592560

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C28H20N4O.Pt/c1-19-16-20(2)32(30-19)21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)31(27(25)18-23)28-12-5-6-15-29-28;/h3-16H,1-2H3;/q-2;+2
InChIKeyJBVOTELWKBTJDH-UHFFFAOYSA-N
MW623.57 g/mol
LogP6.37
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140592560) has the molecular formula C28H20N4OPt and a molecular weight of 623.57 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID140592560
Molecular FormulaC28H20N4OPt
Molecular Weight623.57 g/mol
Exact Mass623.13
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C28H20N4O.Pt/c1-19-16-20(2)32(30-19)21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)31(27(25)18-23)28-12-5-6-15-29-28;/h3-16H,1-2H3;/q-2;+2
InChIKeyJBVOTELWKBTJDH-UHFFFAOYSA-N
XLogP6.37
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.57
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

US10954240, Example 47
CID 118930313
Dihydropyrrolopyrazole, 12
CID 21992881
2-Methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,6]naphthyridine
CID 118708356
9-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine
CID 118708357
1-Benzyl-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168281222
US10954240, Example 3
CID 118930309
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine
CID 166629140
US10954240, Example 1
CID 118917375
US10954240, Example 19
CID 118917379
US10954240, Example 9
CID 118930220
US10954240, Example 68
CID 118930245
US10954240, Example 50
CID 118930273

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 140592560) is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2].
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is JBVOTELWKBTJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O.Pt/c1-19-16-20(2)32(30-19)21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)31(27(25)18-23)28-12-5-6-15-29-28;/h3-16H,1-2H3;/q-2;+2.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 623.57 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140592560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).