(9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane

C27H26FGeN2+ — CID 166030200

About (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane

(9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane (PubChem CID 166030200) has the molecular formula C27H26FGeN2+ and a molecular weight of 470.13 g/mol. Its IUPAC name is (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane.

Molecular Properties

• Compound Name: (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane
• PubChem CID: 166030200
• Molecular Formula: C27H26FGeN2+
• Molecular Weight: 470.13 g/mol
• Exact Mass: 471.13
• IUPAC Name: (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane
• SMILES: Cc1c(F)c2c3ccccc3n3c4cc([Ge](C)(C)C)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C27H26FGeN2/c1-15-16(2)25(28)24-19-9-7-8-10-20(19)31-21-14-18(29(3,4)5)13-17-11-12-30(6)26(23(17)21)22(15)27(24)31/h7-14H,1-6H3/q+1
• InChIKey: FYQAUDAEMLZYKG-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.13
LogP ≤ 5	6.12
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 (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

The IUPAC name of (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane (CID 166030200) is (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane.

What is the SMILES notation for (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

The canonical SMILES for (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane is Cc1c(F)c2c3ccccc3n3c4cc([Ge](C)(C)C)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

The InChIKey is FYQAUDAEMLZYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FGeN2/c1-15-16(2)25(28)24-19-9-7-8-10-20(19)31-21-14-18(29(3,4)5)13-17-11-12-30(6)26(23(17)21)22(15)27(24)31/h7-14H,1-6H3/q+1.

What are the key properties of (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

(9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane has a molecular weight of 470.13 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane is sourced from PubChem (CID 166030200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).