(6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene

C26H42N2 — CID 10628970

IUPAC(6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene
SMILESC1=C2CN3CCCC/C=C\CC[C@H]4CN(CCCC/C=C\CC[C@@H]1C3)CC[C@H]24
InChIInChI=1S/C26H42N2/c1-3-7-11-16-27-18-15-26-24(21-27)14-10-6-2-4-8-12-17-28-20-23(13-9-5-1)19-25(26)22-28/h1-2,5-6,19,23-24,26H,3-4,7-18,20-22H2/b5-1-,6-2-/t23-,24-,26-/m0/s1
InChIKeyUOAQLFVPXKOHCQ-OVHIOJPESA-N
MW382.64 g/mol
LogP5.82
Rot. Bonds

About (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene

(6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene (PubChem CID 10628970) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene.

Molecular Properties

Compound Name(6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene
PubChem CID10628970
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name(6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene
SMILESC1=C2CN3CCCC/C=C\CC[C@H]4CN(CCCC/C=C\CC[C@@H]1C3)CC[C@H]24
InChIInChI=1S/C26H42N2/c1-3-7-11-16-27-18-15-26-24(21-27)14-10-6-2-4-8-12-17-28-20-23(13-9-5-1)19-25(26)22-28/h1-2,5-6,19,23-24,26H,3-4,7-18,20-22H2/b5-1-,6-2-/t23-,24-,26-/m0/s1
InChIKeyUOAQLFVPXKOHCQ-OVHIOJPESA-N
XLogP5.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene?
The IUPAC name of (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene (CID 10628970) is (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene.
What is the SMILES notation for (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene?
The canonical SMILES for (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene is C1=C2CN3CCCC/C=C\CC[C@H]4CN(CCCC/C=C\CC[C@@H]1C3)CC[C@H]24.
What is the InChIKey of (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene?
The InChIKey is UOAQLFVPXKOHCQ-OVHIOJPESA-N. The full InChI is InChI=1S/C26H42N2/c1-3-7-11-16-27-18-15-26-24(21-27)14-10-6-2-4-8-12-17-28-20-23(13-9-5-1)19-25(26)22-28/h1-2,5-6,19,23-24,26H,3-4,7-18,20-22H2/b5-1-,6-2-/t23-,24-,26-/m0/s1.
What are the key properties of (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene?
(6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene has a molecular weight of 382.64 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10R,11S,19Z,23S)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene is sourced from PubChem (CID 10628970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).