cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate

C123H108CoF18N6O12P3 — CID 139115384

About cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate

cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate (PubChem CID 139115384) has the molecular formula C123H108CoF18N6O12P3 and a molecular weight of 2356.07 g/mol. Its IUPAC name is cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate.

Molecular Properties

• Compound Name: cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate
• PubChem CID: 139115384
• Molecular Formula: C123H108CoF18N6O12P3
• Molecular Weight: 2356.07 g/mol
• Exact Mass: 2354.63
• IUPAC Name: cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate
• SMILES: CC(C)=O.CC(C)=O.CC1(C)c2ccc(cc2)OCCOCCOc2ccc(cc2)-c2cccc3cc(ncc23)-c2cc3cccc(c3cn2)-c2ccc(cc2)OCCOCCOc2ccc1cc2.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/C53H48N2O6.2C32H24N2O2.2C3H6O.Co.3F6P/c1-53(2)41-13-21-45(22-14-41)60-31-27-56-25-29-58-43-17-9-37(10-18-43)47-7-3-5-39-33-51(54-35-49(39)47)52-34-40-6-4-8-48(50(40)36-55-52)38-11-19-44(20-12-38)59-30-26-57-28-32-61-46-23-15-42(53)16-24-46;2*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;2*1-3(2)4;;3*1-7(2,3,4,5)6/h3-24,33-36H,25-32H2,1-2H3;2*3-20H,1-2H3;2*1-2H3;;;;/q;;;;;+3;3*-1
• InChIKey: BSSPWNRKQCNRPT-UHFFFAOYSA-N
• XLogP: 38.31
• TPSA: 203.78 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2356.07
LogP ≤ 5	38.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate?

The IUPAC name of cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate (CID 139115384) is cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate.

What is the SMILES notation for cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate?

The canonical SMILES for cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate is CC(C)=O.CC(C)=O.CC1(C)c2ccc(cc2)OCCOCCOc2ccc(cc2)-c2cccc3cc(ncc23)-c2cc3cccc(c3cn2)-c2ccc(cc2)OCCOCCOc2ccc1cc2.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+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate?

The InChIKey is BSSPWNRKQCNRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N2O6.2C32H24N2O2.2C3H6O.Co.3F6P/c1-53(2)41-13-21-45(22-14-41)60-31-27-56-25-29-58-43-17-9-37(10-18-43)47-7-3-5-39-33-51(54-35-49(39)47)52-34-40-6-4-8-48(50(40)36-55-52)38-11-19-44(20-12-38)59-30-26-57-28-32-61-46-23-15-42(53)16-24-46;2*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;2*1-3(2)4;;3*1-7(2,3,4,5)6/h3-24,33-36H,25-32H2,1-2H3;2*3-20H,1-2H3;2*1-2H3;;;;/q;;;;;+3;3*-1.

What are the key properties of cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate?

cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate has a molecular weight of 2356.07 g/mol, XLogP of 38.31, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate is sourced from PubChem (CID 139115384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).