13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile

C26H6N8O2 — CID 70876942

IUPAC13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile
SMILESN#Cc1cc2nc3c4cc5c(=O)n6c7cc(C#N)c(C#N)cc7nc6c5cc4c(=O)n3c2cc1C#N
InChIInChI=1S/C26H6N8O2/c27-7-11-1-19-21(3-13(11)9-29)33-23(31-19)15-5-18-16(6-17(15)25(33)35)24-32-20-2-12(8-28)14(10-30)4-22(20)34(24)26(18)36/h1-6H
InChIKeyYYPZUHZHFCGFEE-UHFFFAOYSA-N
MW462.39 g/mol
LogP2.68
Rot. Bonds

About 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile

13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile (PubChem CID 70876942) has the molecular formula C26H6N8O2 and a molecular weight of 462.39 g/mol. Its IUPAC name is 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile.

Molecular Properties

Compound Name13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile
PubChem CID70876942
Molecular FormulaC26H6N8O2
Molecular Weight462.39 g/mol
Exact Mass462.06
IUPAC Name13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile
SMILESN#Cc1cc2nc3c4cc5c(=O)n6c7cc(C#N)c(C#N)cc7nc6c5cc4c(=O)n3c2cc1C#N
InChIInChI=1S/C26H6N8O2/c27-7-11-1-19-21(3-13(11)9-29)33-23(31-19)15-5-18-16(6-17(15)25(33)35)24-32-20-2-12(8-28)14(10-30)4-22(20)34(24)26(18)36/h1-6H
InChIKeyYYPZUHZHFCGFEE-UHFFFAOYSA-N
XLogP2.68
TPSA163.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile with MolForge

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Related Compounds

10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione
CID 59413320
6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
CID 146510594
17-methyl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-15-carbonitrile
CID 121425929
3,13,20,30-tetrazadecacyclo[16.16.2.02,13.04,12.06,10.015,35.019,30.021,29.023,27.032,36]hexatriaconta-1(35),2,4(12),5,10,15,17,19,21(29),22,27,32(36),33-tridecaene-14,31-dione
CID 20762340
7-cyano-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaene-15,17-dicarboxylic acid
CID 7730284
12-oxo-[1,3]benzothiazolo[2,3-b]quinazoline-8,9-dicarbonitrile
CID 5303894
7-isocyano-11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaene-17-carbonitrile
CID 140726026
10,28-difluoro-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione
CID 59348151
11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene
CID 159720545
6-N,6-N,20-N,20-N-tetrachloro-11,25-dioxo-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-6,20-dicarboxamide
CID 134402497
21,22-diisocyano-13,17-dioxo-5,7,10,12,18,20,23,25-octazaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1(16),2,4,6,8,10,14,19(24),20,22,25-undecaene-8,9-dicarbonitrile
CID 59413365
6,20-dibenzoyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
CID 102226437

Frequently Asked Questions

What is the IUPAC name of 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile?
The IUPAC name of 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile (CID 70876942) is 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile.
What is the SMILES notation for 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile?
The canonical SMILES for 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile is N#Cc1cc2nc3c4cc5c(=O)n6c7cc(C#N)c(C#N)cc7nc6c5cc4c(=O)n3c2cc1C#N.
What is the InChIKey of 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile?
The InChIKey is YYPZUHZHFCGFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H6N8O2/c27-7-11-1-19-21(3-13(11)9-29)33-23(31-19)15-5-18-16(6-17(15)25(33)35)24-32-20-2-12(8-28)14(10-30)4-22(20)34(24)26(18)36/h1-6H.
What are the key properties of 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile?
13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile has a molecular weight of 462.39 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13,26-dioxo-5,12,18,25-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4,6(11),7,9,14,17,19(24),20,22-undecaene-8,9,21,22-tetracarbonitrile is sourced from PubChem (CID 70876942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).