(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene

C24H26N4 — CID 136620707

IUPAC(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene
SMILESC/C1=C2\CCC(=N2)/C(C)=c2/cc/c([nH]2)=C(\C)C2=C/C(=C(/C)C3=CCC1N3)N=C2
InChIInChI=1S/C24H26N4/c1-13-17-11-24(25-12-17)16(4)23-10-9-22(28-23)15(3)21-8-7-20(27-21)14(2)19-6-5-18(13)26-19/h5-6,10-12,22,26,28H,7-9H2,1-4H3/b18-13-,19-14-,21-15-,24-16+
InChIKeyJMSRUEXMPLMADU-LEMLIXGMSA-N
MW370.50 g/mol
LogP3.41
Rot. Bonds

About (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene

(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene (PubChem CID 136620707) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene.

Molecular Properties

Compound Name(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene
PubChem CID136620707
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene
SMILESC/C1=C2\CCC(=N2)/C(C)=c2/cc/c([nH]2)=C(\C)C2=C/C(=C(/C)C3=CCC1N3)N=C2
InChIInChI=1S/C24H26N4/c1-13-17-11-24(25-12-17)16(4)23-10-9-22(28-23)15(3)21-8-7-20(27-21)14(2)19-6-5-18(13)26-19/h5-6,10-12,22,26,28H,7-9H2,1-4H3/b18-13-,19-14-,21-15-,24-16+
InChIKeyJMSRUEXMPLMADU-LEMLIXGMSA-N
XLogP3.41
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene?
The IUPAC name of (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene (CID 136620707) is (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene.
What is the SMILES notation for (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene?
The canonical SMILES for (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene is C/C1=C2\CCC(=N2)/C(C)=c2/cc/c([nH]2)=C(\C)C2=C/C(=C(/C)C3=CCC1N3)N=C2.
What is the InChIKey of (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene?
The InChIKey is JMSRUEXMPLMADU-LEMLIXGMSA-N. The full InChI is InChI=1S/C24H26N4/c1-13-17-11-24(25-12-17)16(4)23-10-9-22(28-23)15(3)21-8-7-20(27-21)14(2)19-6-5-18(13)26-19/h5-6,10-12,22,26,28H,7-9H2,1-4H3/b18-13-,19-14-,21-15-,24-16+.
What are the key properties of (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene?
(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene has a molecular weight of 370.50 g/mol, XLogP of 3.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene is sourced from PubChem (CID 136620707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).