cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate

C108H96CoF18N6O10P3 — CID 139115385

About cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate

cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate (PubChem CID 139115385) has the molecular formula C108H96CoF18N6O10P3 and a molecular weight of 2131.81 g/mol. Its IUPAC name is cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate.

Molecular Properties

• Compound Name: cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate
• PubChem CID: 139115385
• Molecular Formula: C108H96CoF18N6O10P3
• Molecular Weight: 2131.81 g/mol
• Exact Mass: 2130.54
• IUPAC Name: cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate
• SMILES: CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.COc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6)c5cn4)ncc23)cc1.COc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6)c5cn4)ncc23)cc1.COc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6)c5cn4)ncc23)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3]
• InChI: InChI=1S/3C32H24N2O2.4C3H6O.Co.3F6P/c3*1-35-25-13-9-21(10-14-25)27-7-3-5-23-17-31(33-19-29(23)27)32-18-24-6-4-8-28(30(24)20-34-32)22-11-15-26(36-2)16-12-22;4*1-3(2)4;;3*1-7(2,3,4,5)6/h3*3-20H,1-2H3;4*1-2H3;;;;/q;;;;;;;+3;3*-1
• InChIKey: CCJCEVGVDJFBFX-UHFFFAOYSA-N
• XLogP: 35.93
• TPSA: 201.00 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2131.81
LogP ≤ 5	35.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate?

The IUPAC name of cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate (CID 139115385) is cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate.

What is the SMILES notation for cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate?

The canonical SMILES for cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate is CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.COc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6)c5cn4)ncc23)cc1.COc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6)c5cn4)ncc23)cc1.COc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6)c5cn4)ncc23)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].

What is the InChIKey of cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate?

The InChIKey is CCJCEVGVDJFBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H24N2O2.4C3H6O.Co.3F6P/c3*1-35-25-13-9-21(10-14-25)27-7-3-5-23-17-31(33-19-29(23)27)32-18-24-6-4-8-28(30(24)20-34-32)22-11-15-26(36-2)16-12-22;4*1-3(2)4;;3*1-7(2,3,4,5)6/h3*3-20H,1-2H3;4*1-2H3;;;;/q;;;;;;;+3;3*-1.

What are the key properties of cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate?

cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate has a molecular weight of 2131.81 g/mol, XLogP of 35.93, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(3+);tris(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);tetrakis(propan-2-one);trihexafluorophosphate is sourced from PubChem (CID 139115385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).