19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene

C26H23FN3+ — CID 166030144

About 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene

19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene (PubChem CID 166030144) has the molecular formula C26H23FN3+ and a molecular weight of 396.49 g/mol. Its IUPAC name is 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene.

Molecular Properties

• Compound Name: 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
• PubChem CID: 166030144
• Molecular Formula: C26H23FN3+
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.19
• IUPAC Name: 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
• SMILES: Cc1cc2c3c(C(C)C)cccc3n3c4cc(F)cc5nc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C26H23FN3/c1-13(2)17-7-6-8-20-23(17)18-9-14(3)15(4)22-25(18)30(20)21-11-16(27)10-19-24(21)26(22)29(5)12-28-19/h6-13H,1-5H3/q+1
• InChIKey: ZVWTYQQQKOXULH-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 21.18 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	6.09
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 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The IUPAC name of 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene (CID 166030144) is 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene.

What is the SMILES notation for 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The canonical SMILES for 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene is Cc1cc2c3c(C(C)C)cccc3n3c4cc(F)cc5nc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The InChIKey is ZVWTYQQQKOXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN3/c1-13(2)17-7-6-8-20-23(17)18-9-14(3)15(4)22-25(18)30(20)21-11-16(27)10-19-24(21)26(22)29(5)12-28-19/h6-13H,1-5H3/q+1.

What are the key properties of 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene has a molecular weight of 396.49 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene is sourced from PubChem (CID 166030144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).