cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)

C102H100CoN10NiO2 — CID 158669369

About cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)

cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+) (PubChem CID 158669369) has the molecular formula C102H100CoN10NiO2 and a molecular weight of 1615.62 g/mol. Its IUPAC name is cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+).

Molecular Properties

• Compound Name: cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)
• PubChem CID: 158669369
• Molecular Formula: C102H100CoN10NiO2
• Molecular Weight: 1615.62 g/mol
• Exact Mass: 1613.67
• IUPAC Name: cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)
• SMILES: CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C.[Co+2].[Ni+2]
• InChI: InChI=1S/C22H16N2O2.4C20H21N2.Co.Ni/c1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;4*1-12-6-8-17(9-7-12)18(19-13(2)10-15(4)21-19)20-14(3)11-16(5)22-20;;/h3-12H,1-2H3;4*6-11H,1-5H3;;/q;4*-1;2*+2
• InChIKey: IDTKRZMJPZDCDJ-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 149.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1615.62
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)?

The IUPAC name of cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+) (CID 158669369) is cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+).

What is the SMILES notation for cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)?

The canonical SMILES for cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+) is CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.CC1=CC(C)=NC1=C(c1ccc(C)cc1)c1[n-]c(C)cc1C.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C.[Co+2].[Ni+2].

What is the InChIKey of cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)?

The InChIKey is IDTKRZMJPZDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.4C20H21N2.Co.Ni/c1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;4*1-12-6-8-17(9-7-12)18(19-13(2)10-15(4)21-19)20-14(3)11-16(5)22-20;;/h3-12H,1-2H3;4*6-11H,1-5H3;;/q;4*-1;2*+2.

What are the key properties of cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+)?

cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+) has a molecular weight of 1615.62 g/mol, XLogP of 22.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);tetrakis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(4-methylphenyl)methylidene]-3,5-dimethylpyrrole);5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;nickel(2+) is sourced from PubChem (CID 158669369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).