(1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C20H12N4 — CID 134980792

IUPAC(1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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\cc3cccnc3n\c2=c2/nc3ncccc3c/c2=C/1
InChIInChI=1S/C20H12N4/c1-2-6-14-12-16-8-4-10-22-20(16)24-18(14)17-13(5-1)11-15-7-3-9-21-19(15)23-17/h1-12H/b2-1-,5-1-,6-2-,13-5-,14-6-,18-17-
InChIKeyIMKPKCIKRBDOCE-FQVZYZNESA-N
MW308.34 g/mol
LogP1.99
Rot. Bonds

About (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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)-3,5,22,24-tetrazapentacyclo[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 134980792) has the molecular formula C20H12N4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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)-3,5,22,24-tetrazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID134980792
Molecular FormulaC20H12N4
Molecular Weight308.34 g/mol
Exact Mass308.11
IUPAC Name(1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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\cc3cccnc3n\c2=c2/nc3ncccc3c/c2=C/1
InChIInChI=1S/C20H12N4/c1-2-6-14-12-16-8-4-10-22-20(16)24-18(14)17-13(5-1)11-15-7-3-9-21-19(15)23-17/h1-12H/b2-1-,5-1-,6-2-,13-5-,14-6-,18-17-
InChIKeyIMKPKCIKRBDOCE-FQVZYZNESA-N
XLogP1.99
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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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Related Compounds

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CID 91870138
copper bis(8H-quinolin-8-ide)
CID 13602417
CID 57759280
CID 57759280
CID 57759899
CID 57759899
magnesium bis(8H-quinolin-8-ide)
CID 87786174
2,3-Dimethylidene-1,8-naphthyridine
CID 91183051
8,9-Dihydronaphtho[2,3-b][1,8]naphthyridine
CID 130290929
7,8-Dihydrobenzo[b][1,8]naphthyridine
CID 130291489
(1Z,7Z,13Z,19Z)-3,24-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 140920400
(1E,7E,13E,19E)-3,9,15,21-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 140920405
(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

Frequently Asked Questions

What is the IUPAC name of (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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)-3,5,22,24-tetrazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 134980792) is (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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)-3,5,22,24-tetrazapentacyclo[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)-3,5,22,24-tetrazapentacyclo[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\cc3cccnc3n\c2=c2/nc3ncccc3c/c2=C/1.
What is the InChIKey of (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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 IMKPKCIKRBDOCE-FQVZYZNESA-N. The full InChI is InChI=1S/C20H12N4/c1-2-6-14-12-16-8-4-10-22-20(16)24-18(14)17-13(5-1)11-15-7-3-9-21-19(15)23-17/h1-12H/b2-1-,5-1-,6-2-,13-5-,14-6-,18-17-.
What are the key properties of (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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)-3,5,22,24-tetrazapentacyclo[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 308.34 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,11Z,13Z,15Z)-3,5,22,24-tetrazapentacyclo[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 134980792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).