(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C22H14N2 — CID 134980390

IUPAC(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=C\C=c2\cc3ccccc3n\c2=c2/nc3ccccc3c/c2=C/1
InChIInChI=1S/C22H14N2/c1-2-10-18-14-16-8-4-6-12-20(16)24-22(18)21-17(9-1)13-15-7-3-5-11-19(15)23-21/h1-14H/b2-1-,9-1-,10-2-,17-9-,18-10-,22-21-
InChIKeyXNFXFFUJBUMHGG-BXPWTOIJSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds

About (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 134980390) has the molecular formula C22H14N2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID134980390
Molecular FormulaC22H14N2
Molecular Weight306.37 g/mol
Exact Mass306.12
IUPAC Name(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=C\C=c2\cc3ccccc3n\c2=c2/nc3ccccc3c/c2=C/1
InChIInChI=1S/C22H14N2/c1-2-10-18-14-16-8-4-6-12-20(16)24-22(18)21-17(9-1)13-15-7-3-5-11-19(15)23-21/h1-14H/b2-1-,9-1-,10-2-,17-9-,18-10-,22-21-
InChIKeyXNFXFFUJBUMHGG-BXPWTOIJSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]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 (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 134980390) is (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is C1=C\C=c2\cc3ccccc3n\c2=c2/nc3ccccc3c/c2=C/1.
What is the InChIKey of (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is XNFXFFUJBUMHGG-BXPWTOIJSA-N. The full InChI is InChI=1S/C22H14N2/c1-2-10-18-14-16-8-4-6-12-20(16)24-22(18)21-17(9-1)13-15-7-3-5-11-19(15)23-21/h1-14H/b2-1-,9-1-,10-2-,17-9-,18-10-,22-21-.
What are the key properties of (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]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 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 134980390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).