7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene

C34H32N4O8 — CID 163567046

IUPAC7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene
SMILESCOc1ccc2c(c1)N=C=Nc1cc(OC)ccc1OCCOc1ccc(OC)cc1N=C=Nc1cc(OC)ccc1OCCO2
InChIInChI=1S/C34H32N4O8/c1-39-23-5-9-31-27(17-23)35-21-36-28-18-24(40-2)6-10-32(28)45-15-16-46-34-12-8-26(42-4)20-30(34)38-22-37-29-19-25(41-3)7-11-33(29)44-14-13-43-31/h5-12,17-20H,13-16H2,1-4H3
InChIKeyFWBZJIWVWSSIPW-UHFFFAOYSA-N
MW624.65 g/mol
LogP7.22
Rot. Bonds4

About 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene

7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene (PubChem CID 163567046) has the molecular formula C34H32N4O8 and a molecular weight of 624.65 g/mol. Its IUPAC name is 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene.

Molecular Properties

Compound Name7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene
PubChem CID163567046
Molecular FormulaC34H32N4O8
Molecular Weight624.65 g/mol
Exact Mass624.22
IUPAC Name7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene
SMILESCOc1ccc2c(c1)N=C=Nc1cc(OC)ccc1OCCOc1ccc(OC)cc1N=C=Nc1cc(OC)ccc1OCCO2
InChIInChI=1S/C34H32N4O8/c1-39-23-5-9-31-27(17-23)35-21-36-28-18-24(40-2)6-10-32(28)45-15-16-46-34-12-8-26(42-4)20-30(34)38-22-37-29-19-25(41-3)7-11-33(29)44-14-13-43-31/h5-12,17-20H,13-16H2,1-4H3
InChIKeyFWBZJIWVWSSIPW-UHFFFAOYSA-N
XLogP7.22
TPSA123.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500624.65
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene with MolForge

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Related Compounds

7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]
CID 159786648
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-4-methoxyaniline
CID 115478329
7,7',19,19'-tetramethoxy-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,5(10),6,8,17,19-heptaene]
CID 134462458
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82605158
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine
CID 70327993
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298
6-methoxy-2,3-dihydrochromen-4-imine
CID 70307921
8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine
CID 117246836
2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 83754217
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529

Frequently Asked Questions

What is the IUPAC name of 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene?
The IUPAC name of 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene (CID 163567046) is 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene.
What is the SMILES notation for 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene?
The canonical SMILES for 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene is COc1ccc2c(c1)N=C=Nc1cc(OC)ccc1OCCOc1ccc(OC)cc1N=C=Nc1cc(OC)ccc1OCCO2.
What is the InChIKey of 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene?
The InChIKey is FWBZJIWVWSSIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O8/c1-39-23-5-9-31-27(17-23)35-21-36-28-18-24(40-2)6-10-32(28)45-15-16-46-34-12-8-26(42-4)20-30(34)38-22-37-29-19-25(41-3)7-11-33(29)44-14-13-43-31/h5-12,17-20H,13-16H2,1-4H3.
What are the key properties of 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene?
7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene has a molecular weight of 624.65 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene is sourced from PubChem (CID 163567046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).