14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile

C31H26GeN3+ — CID 169015346

About 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile

14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile (PubChem CID 169015346) has the molecular formula C31H26GeN3+ and a molecular weight of 513.18 g/mol. Its IUPAC name is 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile.

Molecular Properties

• Compound Name: 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile
• PubChem CID: 169015346
• Molecular Formula: C31H26GeN3+
• Molecular Weight: 513.18 g/mol
• Exact Mass: 514.13
• IUPAC Name: 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile
• SMILES: Cc1c2ccccc2c(C#N)c2c1c1c3c(cc[n+]1C)cc([Ge](C)(C)C)c1c4ccccc4n2c13
• InChI: InChI=1S/C31H26GeN3/c1-18-20-10-6-7-11-21(20)23(17-33)29-26(18)30-27-19(14-15-34(30)5)16-24(32(2,3)4)28-22-12-8-9-13-25(22)35(29)31(27)28/h6-16H,1-5H3/q+1
• InChIKey: UFLHGMJMJXFJDT-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 32.08 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.18
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile?

The IUPAC name of 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile (CID 169015346) is 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile.

What is the SMILES notation for 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile?

The canonical SMILES for 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile is Cc1c2ccccc2c(C#N)c2c1c1c3c(cc[n+]1C)cc([Ge](C)(C)C)c1c4ccccc4n2c13.

What is the InChIKey of 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile?

The InChIKey is UFLHGMJMJXFJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26GeN3/c1-18-20-10-6-7-11-21(20)23(17-33)29-26(18)30-27-19(14-15-34(30)5)16-24(32(2,3)4)28-22-12-8-9-13-25(22)35(29)31(27)28/h6-16H,1-5H3/q+1.

What are the key properties of 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile?

14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile has a molecular weight of 513.18 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile is sourced from PubChem (CID 169015346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).