9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene

C25H22N6 — CID 159622123

IUPAC9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene
SMILESCc1cccc2c1nc1n(C)c3c(C)c4c(cc3n21)n1c2cccc(C)c2nc1n4C
InChIInChI=1S/C25H22N6/c1-13-8-6-10-16-20(13)26-24-28(4)22-15(3)23-19(12-18(22)30(16)24)31-17-11-7-9-14(2)21(17)27-25(31)29(23)5/h6-12H,1-5H3
InChIKeyZOWJXCJKEFEZLX-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.20
Rot. Bonds

About 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene

9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene (PubChem CID 159622123) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene.

Molecular Properties

Compound Name9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene
PubChem CID159622123
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC Name9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene
SMILESCc1cccc2c1nc1n(C)c3c(C)c4c(cc3n21)n1c2cccc(C)c2nc1n4C
InChIInChI=1S/C25H22N6/c1-13-8-6-10-16-20(13)26-24-28(4)22-15(3)23-19(12-18(22)30(16)24)31-17-11-7-9-14(2)21(17)27-25(31)29(23)5/h6-12H,1-5H3
InChIKeyZOWJXCJKEFEZLX-UHFFFAOYSA-N
XLogP5.20
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene with MolForge

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Related Compounds

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CID 170295075
4-carbazol-9-yl-6-methylbenzimidazolo[1,2-a]benzimidazole
CID 164714389
2-heptan-3-yl-1,4-dimethylbenzimidazole
CID 22734816
1,4-dimethyl-2-(3-methylbutyl)benzimidazole
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6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole
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5-methyl-3,10,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 177120080
(16S)-7,16-dimethyl-15-(2-methylphenyl)-11,17-diphenyl-2,9,11,15,17-pentazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),3,5,7,9,12,14(18)-heptaene
CID 165169198
4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene?
The IUPAC name of 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene (CID 159622123) is 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene.
What is the SMILES notation for 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene?
The canonical SMILES for 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene is Cc1cccc2c1nc1n(C)c3c(C)c4c(cc3n21)n1c2cccc(C)c2nc1n4C.
What is the InChIKey of 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene?
The InChIKey is ZOWJXCJKEFEZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-13-8-6-10-16-20(13)26-24-28(4)22-15(3)23-19(12-18(22)30(16)24)31-17-11-7-9-14(2)21(17)27-25(31)29(23)5/h6-12H,1-5H3.
What are the key properties of 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene?
9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene has a molecular weight of 406.49 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene is sourced from PubChem (CID 159622123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).