4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene

C18H30N6O6 — CID 134942436

IUPAC4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene
SMILESc1c2nnn1CCOCCOCCOCc1cn(nn1)CCOCCOCCOC2
InChIInChI=1S/C18H30N6O6/c1-3-25-5-7-27-9-12-30-16-18-14-24(22-20-18)2-4-26-6-8-28-10-11-29-15-17-13-23(1)21-19-17/h13-14H,1-12,15-16H2
InChIKeyYSFKAPKAYACTSV-UHFFFAOYSA-N
MW426.47 g/mol
LogP-0.32
Rot. Bonds

About 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene

4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene (PubChem CID 134942436) has the molecular formula C18H30N6O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene.

Molecular Properties

Compound Name4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene
PubChem CID134942436
Molecular FormulaC18H30N6O6
Molecular Weight426.47 g/mol
Exact Mass426.22
IUPAC Name4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene
SMILESc1c2nnn1CCOCCOCCOCc1cn(nn1)CCOCCOCCOC2
InChIInChI=1S/C18H30N6O6/c1-3-25-5-7-27-9-12-30-16-18-14-24(22-20-18)2-4-26-6-8-28-10-11-29-15-17-13-23(1)21-19-17/h13-14H,1-12,15-16H2
InChIKeyYSFKAPKAYACTSV-UHFFFAOYSA-N
XLogP-0.32
TPSA116.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene with MolForge

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Related Compounds

4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxymethyl]-1-(2-methylpropyl)triazole
CID 88993182
3-[4-[[4-[[1-(2,3-Dihydroxypropyl)triazol-4-yl]methoxy]-2,2,3,3-tetrafluorobutoxy]methyl]triazol-1-yl]propane-1,2-diol
CID 134574200
1-[4,4-Difluoro-6-[4-(2-methoxyethoxymethyl)triazol-1-yl]octan-2-yl]-4-(2-methoxyethoxymethyl)triazole
CID 170245884
1-Butan-2-yl-4-[2-(2-fluoroethoxy)ethoxymethyl]triazole
CID 171649266
4-(2-Azidoethyl)-14-methyl-14-(prop-2-ynoxymethyl)-12,16-dioxa-1,4,7,8,9,19,20-heptazatricyclo[16.2.1.17,10]docosa-8,10(22),18(21),19-tetraene
CID 134974948
11-Methyl-9,13,28-trioxa-1,4,5,6,16,17,18,23,24,25-decazapentacyclo[9.9.9.14,7.115,18.123,26]dotriaconta-5,7(32),15(31),16,24,26(30)-hexaene
CID 134975123
2-[4-(Methoxymethyl)triazol-1-yl]ethyl sulfite
CID 139211401
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-4-[[1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)triazol-4-yl]methoxymethyl]triazole
CID 132582699
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-4-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)triazol-4-yl]methoxymethyl]triazole
CID 132582700
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)-4-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxymethyl]triazole
CID 132582701
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl)-4-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxymethyl]triazole
CID 132582703
[1-[2-[2-[4-(Hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol
CID 12722581

Frequently Asked Questions

What is the IUPAC name of 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene?
The IUPAC name of 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene (CID 134942436) is 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene.
What is the SMILES notation for 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene?
The canonical SMILES for 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene is c1c2nnn1CCOCCOCCOCc1cn(nn1)CCOCCOCCOC2.
What is the InChIKey of 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene?
The InChIKey is YSFKAPKAYACTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O6/c1-3-25-5-7-27-9-12-30-16-18-14-24(22-20-18)2-4-26-6-8-28-10-11-29-15-17-13-23(1)21-19-17/h13-14H,1-12,15-16H2.
What are the key properties of 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene?
4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene has a molecular weight of 426.47 g/mol, XLogP of -0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10,18,21,24-hexaoxa-1,13,14,15,27,28-hexazatricyclo[24.2.1.112,15]triaconta-12(30),13,26(29),27-tetraene is sourced from PubChem (CID 134942436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).