(1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene

C26H18N2 — CID 5379414

IUPAC(1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
SMILESC1=c2/cccc/c2=c2\cccc\c2=C\N=c2\cccc\c2=c2/cccc/c2=N/1
InChIInChI=1S/C26H18N2/c1-3-11-21-19(9-1)17-27-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28-18-20-10-2-4-12-22(20)21/h1-18H/b19-17-,20-18-,22-21-,24-23-,27-17-,27-25-,28-18-,28-26-
InChIKeyIJXNIPITMSENPV-UIUHIEDHSA-N
MW358.44 g/mol
LogP2.69
Rot. Bonds

About (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene

(1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene (PubChem CID 5379414) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene.

Molecular Properties

Compound Name(1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
PubChem CID5379414
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name(1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
SMILESC1=c2/cccc/c2=c2\cccc\c2=C\N=c2\cccc\c2=c2/cccc/c2=N/1
InChIInChI=1S/C26H18N2/c1-3-11-21-19(9-1)17-27-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28-18-20-10-2-4-12-22(20)21/h1-18H/b19-17-,20-18-,22-21-,24-23-,27-17-,27-25-,28-18-,28-26-
InChIKeyIJXNIPITMSENPV-UIUHIEDHSA-N
XLogP2.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
The IUPAC name of (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene (CID 5379414) is (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene.
What is the SMILES notation for (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
The canonical SMILES for (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene is C1=c2/cccc/c2=c2\cccc\c2=C\N=c2\cccc\c2=c2/cccc/c2=N/1.
What is the InChIKey of (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
The InChIKey is IJXNIPITMSENPV-UIUHIEDHSA-N. The full InChI is InChI=1S/C26H18N2/c1-3-11-21-19(9-1)17-27-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28-18-20-10-2-4-12-22(20)21/h1-18H/b19-17-,20-18-,22-21-,24-23-,27-17-,27-25-,28-18-,28-26-.
What are the key properties of (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
(1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene has a molecular weight of 358.44 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z,15Z,21Z)-8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene is sourced from PubChem (CID 5379414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).