carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene

C49H66CoN2O6+2 — CID 159865004

About carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene

carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene (PubChem CID 159865004) has the molecular formula C49H66CoN2O6+2 and a molecular weight of 838.01 g/mol. Its IUPAC name is carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene.

Molecular Properties

• Compound Name: carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene
• PubChem CID: 159865004
• Molecular Formula: C49H66CoN2O6+2
• Molecular Weight: 838.01 g/mol
• Exact Mass: 837.42
• IUPAC Name: carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene
• SMILES: CC(C)C.CC(C)C.CC(C)Cc1cc(C(C)(C)C)cc2c1OC13Oc4c(cc(C(C)(C)C)cc4C(C)(C)C)C=[N+]1c1ccccc1[N+]3=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co]
• InChI: InChI=1S/C37H46N2O2.2C4H10.4CO.Co/c1-23(2)16-24-17-27(34(3,4)5)18-25-21-38-30-14-12-13-15-31(30)39-22-26-19-28(35(6,7)8)20-29(36(9,10)11)33(26)41-37(38,39)40-32(24)25;2*1-4(2)3;4*1-2;/h12-15,17-23H,16H2,1-11H3;2*4H,1-3H3;;;;;/q+2
• InChIKey: JVVGSKDGUVIIBQ-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 104.08 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.01
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene?

The IUPAC name of carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene (CID 159865004) is carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene.

What is the SMILES notation for carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene?

The canonical SMILES for carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene is CC(C)C.CC(C)C.CC(C)Cc1cc(C(C)(C)C)cc2c1OC13Oc4c(cc(C(C)(C)C)cc4C(C)(C)C)C=[N+]1c1ccccc1[N+]3=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].

What is the InChIKey of carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene?

The InChIKey is JVVGSKDGUVIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N2O2.2C4H10.4CO.Co/c1-23(2)16-24-17-27(34(3,4)5)18-25-21-38-30-14-12-13-15-31(30)39-22-26-19-28(35(6,7)8)20-29(36(9,10)11)33(26)41-37(38,39)40-32(24)25;2*1-4(2)3;4*1-2;/h12-15,17-23H,16H2,1-11H3;2*4H,1-3H3;;;;;/q+2;;;;;;;.

What are the key properties of carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene?

carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene has a molecular weight of 838.01 g/mol, XLogP of 11.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;cobalt;bis(2-methylpropane);4,6,21-tritert-butyl-23-(2-methylpropyl)-2,25-dioxa-10,17-diazoniahexacyclo[15.8.0.01,10.03,8.011,16.019,24]pentacosa-3(8),4,6,9,11,13,15,17,19(24),20,22-undecaene is sourced from PubChem (CID 159865004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).