7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile

C26H16N4 — CID 88903626

IUPAC7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile
SMILESCn1c(C#N)cc2cc3c(ccc4c5cc6cc(C#N)n(C)c6cc5ccc34)cc21
InChIInChI=1S/C26H16N4/c1-29-19(13-27)7-17-9-23-15(11-25(17)29)3-5-22-21(23)6-4-16-12-26-18(10-24(16)22)8-20(14-28)30(26)2/h3-12H,1-2H3
InChIKeyKXZGJRDDECTJGA-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.87
Rot. Bonds

About 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile

7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile (PubChem CID 88903626) has the molecular formula C26H16N4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile.

Molecular Properties

Compound Name7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile
PubChem CID88903626
Molecular FormulaC26H16N4
Molecular Weight384.44 g/mol
Exact Mass384.14
IUPAC Name7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile
SMILESCn1c(C#N)cc2cc3c(ccc4c5cc6cc(C#N)n(C)c6cc5ccc34)cc21
InChIInChI=1S/C26H16N4/c1-29-19(13-27)7-17-9-23-15(11-25(17)29)3-5-22-21(23)6-4-16-12-26-18(10-24(16)22)8-20(14-28)30(26)2/h3-12H,1-2H3
InChIKeyKXZGJRDDECTJGA-UHFFFAOYSA-N
XLogP5.87
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile?
The IUPAC name of 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile (CID 88903626) is 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile.
What is the SMILES notation for 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile?
The canonical SMILES for 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile is Cn1c(C#N)cc2cc3c(ccc4c5cc6cc(C#N)n(C)c6cc5ccc34)cc21.
What is the InChIKey of 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile?
The InChIKey is KXZGJRDDECTJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4/c1-29-19(13-27)7-17-9-23-15(11-25(17)29)3-5-22-21(23)6-4-16-12-26-18(10-24(16)22)8-20(14-28)30(26)2/h3-12H,1-2H3.
What are the key properties of 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile?
7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile has a molecular weight of 384.44 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene-6,18-dicarbonitrile is sourced from PubChem (CID 88903626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).