19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene

C26H22FN2+ — CID 166029975

About 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene

19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene (PubChem CID 166029975) has the molecular formula C26H22FN2+ and a molecular weight of 381.47 g/mol. Its IUPAC name is 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene.

Molecular Properties

• Compound Name: 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene
• PubChem CID: 166029975
• Molecular Formula: C26H22FN2+
• Molecular Weight: 381.47 g/mol
• Exact Mass: 381.18
• IUPAC Name: 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene
• SMILES: Cc1ccc2c(c1C)c1cc(C)c(C)c3c1n2c1cc(F)cc2cc[n+](C)c3c21
• InChI: InChI=1S/C26H22FN2/c1-13-6-7-20-22(15(13)3)19-10-14(2)16(4)23-25(19)29(20)21-12-18(27)11-17-8-9-28(5)26(23)24(17)21/h6-12H,1-5H3/q+1
• InChIKey: SEJCWFSQLXWJJT-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.47
LogP ≤ 5	6.19
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 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene?

The IUPAC name of 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene (CID 166029975) is 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene.

What is the SMILES notation for 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene?

The canonical SMILES for 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene is Cc1ccc2c(c1C)c1cc(C)c(C)c3c1n2c1cc(F)cc2cc[n+](C)c3c21.

What is the InChIKey of 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene?

The InChIKey is SEJCWFSQLXWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN2/c1-13-6-7-20-22(15(13)3)19-10-14(2)16(4)23-25(19)29(20)21-12-18(27)11-17-8-9-28(5)26(23)24(17)21/h6-12H,1-5H3/q+1.

What are the key properties of 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene?

19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene has a molecular weight of 381.47 g/mol, XLogP of 6.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 19-fluoro-5,6,10,11,14-pentamethyl-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)-undecaene is sourced from PubChem (CID 166029975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).