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+)

C27H22N5NiO2+2 — CID 162457751

About 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+)

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+) (PubChem CID 162457751) has the molecular formula C27H22N5NiO2+2 and a molecular weight of 507.20 g/mol. Its IUPAC name is 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+).

Molecular Properties

• Compound Name: 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+)
• PubChem CID: 162457751
• Molecular Formula: C27H22N5NiO2+2
• Molecular Weight: 507.20 g/mol
• Exact Mass: 506.11
• IUPAC Name: 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+)
• SMILES: C[n+]1c[cH-]c2c1[n+](C)cn2-c1cccc(N(C/[C-]=C/c2coc3oc[c-]c23)c2ccccc2)n1.[Ni+3]
• InChI: InChI=1S/C27H22N5O2.Ni/c1-29-16-13-23-26(29)30(2)19-32(23)25-12-6-11-24(28-25)31(21-9-4-3-5-10-21)15-7-8-20-18-34-27-22(20)14-17-33-27;/h3-6,8-13,16-19H,15H2,1-2H3;/q-1;+3
• InChIKey: DNSIXVOELHVJKI-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 55.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.20
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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+)?

The IUPAC name of 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) is 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+).

What is the SMILES notation for 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+)?

The canonical SMILES for 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+) is C[n+]1c[cH-]c2c1[n+](C)cn2-c1cccc(N(C/[C-]=C/c2coc3oc[c-]c23)c2ccccc2)n1.[Ni+3].

What is the InChIKey of 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+)?

The InChIKey is DNSIXVOELHVJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N5O2.Ni/c1-29-16-13-23-26(29)30(2)19-32(23)25-12-6-11-24(28-25)31(21-9-4-3-5-10-21)15-7-8-20-18-34-27-22(20)14-17-33-27;/h3-6,8-13,16-19H,15H2,1-2H3;/q-1;+3.

What are the key properties of 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+)?

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+) has a molecular weight of 507.20 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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+) is sourced from PubChem (CID 162457751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).