(4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane

C27H26FGeN2+ — CID 166029396

About (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane

(4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane (PubChem CID 166029396) has the molecular formula C27H26FGeN2+ and a molecular weight of 470.13 g/mol. Its IUPAC name is (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane.

Molecular Properties

• Compound Name: (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane
• PubChem CID: 166029396
• Molecular Formula: C27H26FGeN2+
• Molecular Weight: 470.13 g/mol
• Exact Mass: 471.13
• IUPAC Name: (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane
• SMILES: Cc1cc2c3ccc(F)cc3n3c4cc([Ge](C)(C)C)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C27H26FGeN2/c1-15-11-21-20-8-7-18(28)13-22(20)31-23-14-19(29(3,4)5)12-17-9-10-30(6)27(25(17)23)24(16(15)2)26(21)31/h7-14H,1-6H3/q+1
• InChIKey: UYAFAWDAGKWLBX-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 (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

The IUPAC name of (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane (CID 166029396) is (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane.

What is the SMILES notation for (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

The canonical SMILES for (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane is Cc1cc2c3ccc(F)cc3n3c4cc([Ge](C)(C)C)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

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

What are the key properties of (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane?

(4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(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 (4-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane is sourced from PubChem (CID 166029396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).