6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene

C31H25N2+ — CID 166030079

About 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene

6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (PubChem CID 166030079) has the molecular formula C31H25N2+ and a molecular weight of 425.56 g/mol. Its IUPAC name is 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

Molecular Properties

• Compound Name: 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• PubChem CID: 166030079
• Molecular Formula: C31H25N2+
• Molecular Weight: 425.56 g/mol
• Exact Mass: 425.20
• IUPAC Name: 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• SMILES: Cc1cc2c3c(C)cccc3n3c4cc(-c5ccccc5)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C31H25N2/c1-18-9-8-12-25-27(18)24-15-19(2)20(3)28-30(24)33(25)26-17-23(21-10-6-5-7-11-21)16-22-13-14-32(4)31(28)29(22)26/h5-17H,1-4H3/q+1
• InChIKey: UUIYHRUFKKLFIC-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.56
LogP ≤ 5	7.41
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 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The IUPAC name of 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (CID 166030079) is 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

What is the SMILES notation for 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The canonical SMILES for 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is Cc1cc2c3c(C)cccc3n3c4cc(-c5ccccc5)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The InChIKey is UUIYHRUFKKLFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N2/c1-18-9-8-12-25-27(18)24-15-19(2)20(3)28-30(24)33(25)26-17-23(21-10-6-5-7-11-21)16-22-13-14-32(4)31(28)29(22)26/h5-17H,1-4H3/q+1.

What are the key properties of 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene has a molecular weight of 425.56 g/mol, XLogP of 7.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6,10,11,14-tetramethyl-19-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is sourced from PubChem (CID 166030079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).