(10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene

C24H14N6O6 — CID 58443579

IUPAC(10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene
SMILESC1=C/c2coc(n2)-c2coc(n2)-c2coc(n2)C/C=C/c2coc(n2)-c2coc(n2)-c2coc(n2)C/1
InChIInChI=1S/C24H14N6O6/c1-3-13-7-33-21(25-13)17-11-36-24(29-17)16-10-32-20(28-16)6-2-4-14-8-34-22(26-14)18-12-35-23(30-18)15-9-31-19(5-1)27-15/h1-4,7-12H,5-6H2/b3-1+,4-2+
InChIKeyKLJSWSHAYYRSLX-ZPUQHVIOSA-N
MW482.41 g/mol
LogP5.11
Rot. Bonds

About (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene

(10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene (PubChem CID 58443579) has the molecular formula C24H14N6O6 and a molecular weight of 482.41 g/mol. Its IUPAC name is (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene.

Molecular Properties

Compound Name(10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene
PubChem CID58443579
Molecular FormulaC24H14N6O6
Molecular Weight482.41 g/mol
Exact Mass482.10
IUPAC Name(10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene
SMILESC1=C/c2coc(n2)-c2coc(n2)-c2coc(n2)C/C=C/c2coc(n2)-c2coc(n2)-c2coc(n2)C/1
InChIInChI=1S/C24H14N6O6/c1-3-13-7-33-21(25-13)17-11-36-24(29-17)16-10-32-20(28-16)6-2-4-14-8-34-22(26-14)18-12-35-23(30-18)15-9-31-19(5-1)27-15/h1-4,7-12H,5-6H2/b3-1+,4-2+
InChIKeyKLJSWSHAYYRSLX-ZPUQHVIOSA-N
XLogP5.11
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500482.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene with MolForge

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Related Compounds

(12S,25E)-12-propan-2-yl-3,7,14,18,22,29-hexaoxa-11,31,32,33,34,35,36-heptazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,25,28(31)-tridecaen-10-one
CID 25023634
N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
CID 25023553
(25E)-12-propan-2-yl-3,7,14,18,22,29-hexaoxa-11,31,32,33,34,35,36-heptazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,25,28(31)-tridecaen-10-one
CID 25147696
(26E)-3,7,14,18,22,29-hexaoxa-11,31,32,33,34,35,36-heptazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,26,28(31)-tridecaen-10-one
CID 25176931
[(25E)-10-oxo-3,7,14,18,22,29-hexaoxa-11,31,32,33,34,35,36-heptazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,25,28(31)-tridecaen-27-yl] 2-(dimethylamino)acetate
CID 25176996
(26E)-3,7,15,19,23,29-hexaoxa-11,31,32,33,34,35,36-heptazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13,16(34),17,20(33),21,24(32),26,28(31)-tridecaen-10-one
CID 58443535
(25E)-12-propyl-3,7,14,18,22,29-hexaoxa-11,31,32,33,34,35,36-heptazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,25,28(31)-tridecaen-10-one
CID 58443548
N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
CID 58443554
2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
CID 58443560
4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole
CID 58443568
(11E,26E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol
CID 58443573
(25E)-12-(2-aminoethyl)-3,7,14,18,22,29-hexaoxa-11,31,32,33,34,35,36-heptazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,25,28(31)-tridecaen-10-one
CID 58443575

Frequently Asked Questions

What is the IUPAC name of (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene?
The IUPAC name of (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene (CID 58443579) is (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene.
What is the SMILES notation for (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene?
The canonical SMILES for (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene is C1=C/c2coc(n2)-c2coc(n2)-c2coc(n2)C/C=C/c2coc(n2)-c2coc(n2)-c2coc(n2)C/1.
What is the InChIKey of (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene?
The InChIKey is KLJSWSHAYYRSLX-ZPUQHVIOSA-N. The full InChI is InChI=1S/C24H14N6O6/c1-3-13-7-33-21(25-13)17-11-36-24(29-17)16-10-32-20(28-16)6-2-4-14-8-34-22(26-14)18-12-35-23(30-18)15-9-31-19(5-1)27-15/h1-4,7-12H,5-6H2/b3-1+,4-2+.
What are the key properties of (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene?
(10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene has a molecular weight of 482.41 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,25E)-3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15,17(33),19,21(32),23,25,28(31)-tetradecaene is sourced from PubChem (CID 58443579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).