11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene

C30H23N2+ — CID 170684448

About 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene

11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene (PubChem CID 170684448) has the molecular formula C30H23N2+ and a molecular weight of 411.53 g/mol. Its IUPAC name is 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene.

Molecular Properties

• Compound Name: 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
• PubChem CID: 170684448
• Molecular Formula: C30H23N2+
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.19
• IUPAC Name: 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
• SMILES: Cc1cc2cccc3c2c(c1C)c1c2c(cc[n+]1C)c1cc(-c4ccccc4)ccc1n32
• InChI: InChI=1S/C30H23N2/c1-18-16-22-10-7-11-26-28(22)27(19(18)2)30-29-23(14-15-31(30)3)24-17-21(12-13-25(24)32(26)29)20-8-5-4-6-9-20/h4-17H,1-3H3/q+1
• InChIKey: GZKYZADZGQCHME-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

The IUPAC name of 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene (CID 170684448) is 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene.

What is the SMILES notation for 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

The canonical SMILES for 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene is Cc1cc2cccc3c2c(c1C)c1c2c(cc[n+]1C)c1cc(-c4ccccc4)ccc1n32.

What is the InChIKey of 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

The InChIKey is GZKYZADZGQCHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N2/c1-18-16-22-10-7-11-26-28(22)27(19(18)2)30-29-23(14-15-31(30)3)24-17-21(12-13-25(24)32(26)29)20-8-5-4-6-9-20/h4-17H,1-3H3/q+1.

What are the key properties of 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene has a molecular weight of 411.53 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene is sourced from PubChem (CID 170684448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).