(1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C22H14N2 — CID 140920419

IUPAC(1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESc1ccc2/c(c1)=c1/cccn/c1=c1\cccc\c1=c1/cccn/c1=2
InChIInChI=1S/C22H14N2/c1-3-9-17-15(7-1)19-11-5-13-24-22(19)18-10-4-2-8-16(18)20-12-6-14-23-21(17)20/h1-14H/b19-15-,20-16-,21-17+,22-18+
InChIKeyKHLAAKAUFHGISI-NOUYCVRBSA-N
MW306.37 g/mol
LogP3.94
Rot. Bonds

About (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

(1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 140920419) has the molecular formula C22H14N2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name(1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID140920419
Molecular FormulaC22H14N2
Molecular Weight306.37 g/mol
Exact Mass306.12
IUPAC Name(1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESc1ccc2/c(c1)=c1/cccn/c1=c1\cccc\c1=c1/cccn/c1=2
InChIInChI=1S/C22H14N2/c1-3-9-17-15(7-1)19-11-5-13-24-22(19)18-10-4-2-8-16(18)20-12-6-14-23-21(17)20/h1-14H/b19-15-,20-16-,21-17+,22-18+
InChIKeyKHLAAKAUFHGISI-NOUYCVRBSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 140920419) is (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is c1ccc2/c(c1)=c1/cccn/c1=c1\cccc\c1=c1/cccn/c1=2.
What is the InChIKey of (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is KHLAAKAUFHGISI-NOUYCVRBSA-N. The full InChI is InChI=1S/C22H14N2/c1-3-9-17-15(7-1)19-11-5-13-24-22(19)18-10-4-2-8-16(18)20-12-6-14-23-21(17)20/h1-14H/b19-15-,20-16-,21-17+,22-18+.
What are the key properties of (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
(1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 306.37 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7Z,13E,19Z)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 140920419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).