6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)

C27H24N5O2Pt+ — CID 162457831

IUPAC6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)
SMILES[H]/[C-]=C/Oc1cc(/C=N\CN(c2ccccc2)c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)co1.[Pt+2]
InChIInChI=1S/C27H24N5O2.Pt/c1-4-33-26-15-20(18-34-26)16-28-19-32(21-9-6-5-7-10-21)25-12-8-11-24(29-25)23-17-31(3)27-22(23)13-14-30(27)2;/h1,4-18H,19H2,2-3H3;/q-1;+2/b28-16-;
InChIKeyMSGORMNRSJFYJA-JCDSVUNTSA-N
MW645.60 g/mol
LogP4.91
Rot. Bonds8

About 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)

6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+) (PubChem CID 162457831) has the molecular formula C27H24N5O2Pt+ and a molecular weight of 645.60 g/mol. Its IUPAC name is 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+).

Molecular Properties

Compound Name6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)
PubChem CID162457831
Molecular FormulaC27H24N5O2Pt+
Molecular Weight645.60 g/mol
Exact Mass645.16
IUPAC Name6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)
SMILES[H]/[C-]=C/Oc1cc(/C=N\CN(c2ccccc2)c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)co1.[Pt+2]
InChIInChI=1S/C27H24N5O2.Pt/c1-4-33-26-15-20(18-34-26)16-28-19-32(21-9-6-5-7-10-21)25-12-8-11-24(29-25)23-17-31(3)27-22(23)13-14-30(27)2;/h1,4-18H,19H2,2-3H3;/q-1;+2/b28-16-;
InChIKeyMSGORMNRSJFYJA-JCDSVUNTSA-N
XLogP4.91
TPSA59.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.60
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+) with MolForge

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Related Compounds

Tert-butyl [4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl] carbonate
CID 17972984
Ethyl [4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl] carbonate
CID 17973015
4-(1-furan-3-ylmethyl-1H-pyrrolo[2,3-b]pyridin-3-yl) piperidine-1-carboxylic acid ethyl ester
CID 68894772
3-[2-(Furan-2-yloxy)ethyl]-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 70891787
6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium
CID 140690606
zinc 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine
CID 156678471
6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-N-[3-(3H-furo[2,3-b]furan-3-id-4-yl)prop-2-enyl]-N-phenylpyridin-2-amine;nickel(3+)
CID 162457751
6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-N-[3-(3H-furo[2,3-b]furan-3-id-4-yl)prop-2-enyl]-N-phenylpyridin-2-amine;palladium
CID 162457759
6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-N-[3-(3H-furo[2,3-b]furan-3-id-4-yl)prop-2-enyl]-N-phenylpyridin-2-amine;platinum
CID 162457813
N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)
CID 162457837
zinc N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine
CID 162457859
3-{1-[(2E)-3-(2-furyl)-2-propen-1-yl]-4-piperidinyl}-2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridine
CID 42275957

Frequently Asked Questions

What is the IUPAC name of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)?
The IUPAC name of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+) (CID 162457831) is 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+).
What is the SMILES notation for 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)?
The canonical SMILES for 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+) is [H]/[C-]=C/Oc1cc(/C=N\CN(c2ccccc2)c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)co1.[Pt+2].
What is the InChIKey of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)?
The InChIKey is MSGORMNRSJFYJA-JCDSVUNTSA-N. The full InChI is InChI=1S/C27H24N5O2.Pt/c1-4-33-26-15-20(18-34-26)16-28-19-32(21-9-6-5-7-10-21)25-12-8-11-24(29-25)23-17-31(3)27-22(23)13-14-30(27)2;/h1,4-18H,19H2,2-3H3;/q-1;+2/b28-16-;.
What are the key properties of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+)?
6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+) has a molecular weight of 645.60 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-(5-ethenoxyfuran-3-yl)methylideneamino]methyl]-N-phenylpyridin-2-amine;platinum(2+) is sourced from PubChem (CID 162457831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).