17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene

C30H24N2O2+2 — CID 22968668

About 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene

17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene (PubChem CID 22968668) has the molecular formula C30H24N2O2+2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene.

Molecular Properties

• Compound Name: 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene
• PubChem CID: 22968668
• Molecular Formula: C30H24N2O2+2
• Molecular Weight: 444.53 g/mol
• Exact Mass: 444.18
• IUPAC Name: 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene
• SMILES: CC1(C)c2ccccc2[N+]2=Cc3ccccc3OC23Oc2c(cccc21)C=[N+]3c1ccccc1
• InChI: InChI=1S/C30H24N2O2/c1-29(2)24-15-7-8-17-26(24)32-19-21-11-6-9-18-27(21)33-30(32)31(23-13-4-3-5-14-23)20-22-12-10-16-25(29)28(22)34-30/h3-20H,1-2H3/q+2
• InChIKey: ILIVOYHPPCUGKF-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 24.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.53
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene?

The IUPAC name of 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene (CID 22968668) is 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene.

What is the SMILES notation for 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene?

The canonical SMILES for 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene is CC1(C)c2ccccc2[N+]2=Cc3ccccc3OC23Oc2c(cccc21)C=[N+]3c1ccccc1.

What is the InChIKey of 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene?

The InChIKey is ILIVOYHPPCUGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c1-29(2)24-15-7-8-17-26(24)32-19-21-11-6-9-18-27(21)33-30(32)31(23-13-4-3-5-14-23)20-22-12-10-16-25(29)28(22)34-30/h3-20H,1-2H3/q+2.

What are the key properties of 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene?

17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene has a molecular weight of 444.53 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17,17-dimethyl-24-phenyl-2,25-dioxa-10,24-diazoniahexacyclo[16.6.2.01,10.03,8.011,16.022,26]hexacosa-3,5,7,9,11,13,15,18,20,22(26),23-undecaene is sourced from PubChem (CID 22968668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).