11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene

C30H24N4O4 — CID 129147747

IUPAC11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene
SMILESC1=Nc2ccccc2OCCOc2ccccc2N=C=Nc2ccccc2OCCOc2ccccc2N=1
InChIInChI=1S/C30H24N4O4/c1-5-13-27-23(9-1)31-21-32-24-10-2-6-14-28(24)37-19-20-38-30-16-8-4-12-26(30)34-22-33-25-11-3-7-15-29(25)36-18-17-35-27/h1-16H,17-20H2
InChIKeyIZZBXQFWNDNXFO-UHFFFAOYSA-N
MW504.55 g/mol
LogP7.19
Rot. Bonds

About 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene

11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene (PubChem CID 129147747) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene.

Molecular Properties

Compound Name11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene
PubChem CID129147747
Molecular FormulaC30H24N4O4
Molecular Weight504.55 g/mol
Exact Mass504.18
IUPAC Name11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene
SMILESC1=Nc2ccccc2OCCOc2ccccc2N=C=Nc2ccccc2OCCOc2ccccc2N=1
InChIInChI=1S/C30H24N4O4/c1-5-13-27-23(9-1)31-21-32-24-10-2-6-14-28(24)37-19-20-38-30-16-8-4-12-26(30)34-22-33-25-11-3-7-15-29(25)36-18-17-35-27/h1-16H,17-20H2
InChIKeyIZZBXQFWNDNXFO-UHFFFAOYSA-N
XLogP7.19
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene with MolForge

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Related Compounds

13-phenyl-11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene-13-thiol
CID 146426562
13,14-diphenyl-2,5-dioxa-12,15-diazatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,12,14,16,18-octaene
CID 101367912
5,21,26,42,47-pentaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;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];13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene
CID 161172974
2,5,8,11,14,17,20,23,26,29,36,39,42,45,48,51,54,57,60,63-icosaoxatricyclo[62.4.0.030,35]octahexaconta-1(68),30,32,34,64,66-hexaene
CID 18784255
2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 585925
2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene;2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 161330562
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene
CID 585932
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 139075381
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CID 159786648
carbamic acid;2,3-dihydro-1,4-benzodioxine
CID 67613608
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
2-methyl-3H-4,1,2-benzoxadiazin-2-ium
CID 20783896

Frequently Asked Questions

What is the IUPAC name of 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene?
The IUPAC name of 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene (CID 129147747) is 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene.
What is the SMILES notation for 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene?
The canonical SMILES for 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene is C1=Nc2ccccc2OCCOc2ccccc2N=C=Nc2ccccc2OCCOc2ccccc2N=1.
What is the InChIKey of 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene?
The InChIKey is IZZBXQFWNDNXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4/c1-5-13-27-23(9-1)31-21-32-24-10-2-6-14-28(24)37-19-20-38-30-16-8-4-12-26(30)34-22-33-25-11-3-7-15-29(25)36-18-17-35-27/h1-16H,17-20H2.
What are the key properties of 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene?
11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene has a molecular weight of 504.55 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene is sourced from PubChem (CID 129147747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).