(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),2,6(24),7,9,11,13(22),16-octaene

C24H28N4 — CID 136612604

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),2,6(24),7,9,11,13(22),16-octaene
SMILESC/C1=C2\CCC(=N2)/C(C)=c2/cc/c([nH]2)=C(\C)C2=C/C(=C(/C)C3=CCC1N3)NC2
InChIInChI=1S/C24H28N4/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/h5-6,10-11,22,25-26,28H,7-9,12H2,1-4H3/b18-13-,19-14-,21-15-,24-16+
InChIKeyKDPFSGVQYKMZER-LEMLIXGMSA-N
MW372.52 g/mol
LogP2.93
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),2,6(24),7,9,11,13(22),16-octaene

(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),2,6(24),7,9,11,13(22),16-octaene (PubChem CID 136612604) has the molecular formula C24H28N4 and a molecular weight of 372.52 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),2,6(24),7,9,11,13(22),16-octaene.

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),2,6(24),7,9,11,13(22),16-octaene
PubChem CID136612604
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
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),2,6(24),7,9,11,13(22),16-octaene
SMILESC/C1=C2\CCC(=N2)/C(C)=c2/cc/c([nH]2)=C(\C)C2=C/C(=C(/C)C3=CCC1N3)NC2
InChIInChI=1S/C24H28N4/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/h5-6,10-11,22,25-26,28H,7-9,12H2,1-4H3/b18-13-,19-14-,21-15-,24-16+
InChIKeyKDPFSGVQYKMZER-LEMLIXGMSA-N
XLogP2.93
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.93
H-Bond Donors ≤ 53
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),2,6(24),7,9,11,13(22),16-octaene 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),2,6(24),7,9,11,13(22),16-octaene?
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),2,6(24),7,9,11,13(22),16-octaene (CID 136612604) 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),2,6(24),7,9,11,13(22),16-octaene.
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),2,6(24),7,9,11,13(22),16-octaene?
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),2,6(24),7,9,11,13(22),16-octaene is C/C1=C2\CCC(=N2)/C(C)=c2/cc/c([nH]2)=C(\C)C2=C/C(=C(/C)C3=CCC1N3)NC2.
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),2,6(24),7,9,11,13(22),16-octaene?
The InChIKey is KDPFSGVQYKMZER-LEMLIXGMSA-N. The full InChI is InChI=1S/C24H28N4/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/h5-6,10-11,22,25-26,28H,7-9,12H2,1-4H3/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),2,6(24),7,9,11,13(22),16-octaene?
(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),2,6(24),7,9,11,13(22),16-octaene has a molecular weight of 372.52 g/mol, XLogP of 2.93, 0 rotatable bonds, 3 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),2,6(24),7,9,11,13(22),16-octaene is sourced from PubChem (CID 136612604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).