14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene

C34H25N2+ — CID 170232949

About 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene

14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene (PubChem CID 170232949) has the molecular formula C34H25N2+ and a molecular weight of 461.59 g/mol. Its IUPAC name is 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene.

Molecular Properties

• Compound Name: 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
• PubChem CID: 170232949
• Molecular Formula: C34H25N2+
• Molecular Weight: 461.59 g/mol
• Exact Mass: 461.20
• IUPAC Name: 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
• SMILES: Cc1c2ccccc2c(C)c2c1c1c3c(ccc4c5c(-c6ccccc6)cccc5n2c43)cc[n+]1C
• InChI: InChI=1S/C34H25N2/c1-20-24-12-7-8-13-25(24)21(2)32-29(20)34-30-23(18-19-35(34)3)16-17-27-31-26(22-10-5-4-6-11-22)14-9-15-28(31)36(32)33(27)30/h4-19H,1-3H3/q+1
• InChIKey: QSEVJUYWHLHLCO-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.59
LogP ≤ 5	8.25
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 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene?

The IUPAC name of 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene (CID 170232949) is 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene.

What is the SMILES notation for 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene?

The canonical SMILES for 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene is Cc1c2ccccc2c(C)c2c1c1c3c(ccc4c5c(-c6ccccc6)cccc5n2c43)cc[n+]1C.

What is the InChIKey of 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene?

The InChIKey is QSEVJUYWHLHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N2/c1-20-24-12-7-8-13-25(24)21(2)32-29(20)34-30-23(18-19-35(34)3)16-17-27-31-26(22-10-5-4-6-11-22)14-9-15-28(31)36(32)33(27)30/h4-19H,1-3H3/q+1.

What are the key properties of 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene?

14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene has a molecular weight of 461.59 g/mol, XLogP of 8.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 14,17,24-trimethyl-6-phenyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene is sourced from PubChem (CID 170232949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).