(3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

C28H20N4 — CID 11970187

IUPAC(3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESC1=c2/cccc/c2=N/C=c2/cccc/c2=N/C=c2/cccc/c2=N/C=c2/cccc/c2=N/1
InChIInChI=1S/C28H20N4/c1-5-13-25-21(9-1)17-29-26-14-6-2-11-23(26)19-31-28-16-8-4-12-24(28)20-32-27-15-7-3-10-22(27)18-30-25/h1-20H/b21-17-,22-18-,23-19-,24-20-,29-17-,29-26-,30-18-,30-25-,31-19-,31-28-,32-20-,32-27-
InChIKeyHMQFFFNXKFAEOG-XQZJMGQOSA-N
MW412.50 g/mol
LogP0.23
Rot. Bonds

About (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

(3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (PubChem CID 11970187) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.

Molecular Properties

Compound Name(3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
PubChem CID11970187
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC Name(3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESC1=c2/cccc/c2=N/C=c2/cccc/c2=N/C=c2/cccc/c2=N/C=c2/cccc/c2=N/1
InChIInChI=1S/C28H20N4/c1-5-13-25-21(9-1)17-29-26-14-6-2-11-23(26)19-31-28-16-8-4-12-24(28)20-32-27-15-7-3-10-22(27)18-30-25/h1-20H/b21-17-,22-18-,23-19-,24-20-,29-17-,29-26-,30-18-,30-25-,31-19-,31-28-,32-20-,32-27-
InChIKeyHMQFFFNXKFAEOG-XQZJMGQOSA-N
XLogP0.23
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The IUPAC name of (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (CID 11970187) is (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.
What is the SMILES notation for (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The canonical SMILES for (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is C1=c2/cccc/c2=N/C=c2/cccc/c2=N/C=c2/cccc/c2=N/C=c2/cccc/c2=N/1.
What is the InChIKey of (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The InChIKey is HMQFFFNXKFAEOG-XQZJMGQOSA-N. The full InChI is InChI=1S/C28H20N4/c1-5-13-25-21(9-1)17-29-26-14-6-2-11-23(26)19-31-28-16-8-4-12-24(28)20-32-27-15-7-3-10-22(27)18-30-25/h1-20H/b21-17-,22-18-,23-19-,24-20-,29-17-,29-26-,30-18-,30-25-,31-19-,31-28-,32-20-,32-27-.
What are the key properties of (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
(3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene has a molecular weight of 412.50 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,11Z,19Z,27Z)-2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is sourced from PubChem (CID 11970187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).