7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone

C24H8N2O4 — CID 102228647

IUPAC7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone
SMILESO=c1[nH]c(=O)c2cc3cc4c(=O)[nH]c(=O)c5cc6ccc7cc1c2c1c7c6c(c54)c31
InChIInChI=1S/C24H8N2O4/c27-21-10-3-7-1-2-8-4-11-18-13(24(30)26-22(11)28)6-9-5-12(23(29)25-21)17(10)19-14(7)15(8)20(18)16(9)19/h1-6H,(H,25,27,29)(H,26,28,30)
InChIKeyLRNDXVRDNWWIBE-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.05
Rot. Bonds

About 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone

7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone (PubChem CID 102228647) has the molecular formula C24H8N2O4 and a molecular weight of 388.34 g/mol. Its IUPAC name is 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone.

Molecular Properties

Compound Name7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone
PubChem CID102228647
Molecular FormulaC24H8N2O4
Molecular Weight388.34 g/mol
Exact Mass388.05
IUPAC Name7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone
SMILESO=c1[nH]c(=O)c2cc3cc4c(=O)[nH]c(=O)c5cc6ccc7cc1c2c1c7c6c(c54)c31
InChIInChI=1S/C24H8N2O4/c27-21-10-3-7-1-2-8-4-11-18-13(24(30)26-22(11)28)6-9-5-12(23(29)25-21)17(10)19-14(7)15(8)20(18)16(9)19/h1-6H,(H,25,27,29)(H,26,28,30)
InChIKeyLRNDXVRDNWWIBE-UHFFFAOYSA-N
XLogP3.05
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone with MolForge

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Related Compounds

8,21-diazaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-1(26),2,4,6(11),10(28),12,14,16(25),17,19(24),23(27)-undecaene-7,9,20,22-tetrone
CID 56606601
8,15,22,29-tetrazaundecacyclo[18.14.1.16,32.02,18.03,12.04,33.05,10.013,17.024,35.026,34.027,31]hexatriaconta-1,3,5(10),6(36),11,13(17),18,20(35),24,26(34),27(31),32-dodecaene-7,9,14,16,21,23,28,30-octone
CID 102195035
13,24-diiodo-8-methyl-8,19-diazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3(12),4(27),5,10,13,15,17(29),21,23(28),24,26(30)-dodecaene-7,9,18,20-tetrone
CID 163741189
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CID 102228646
10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione
CID 163303968
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CID 173336202
6-methoxy-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 154365196
13-(3-methylbutan-2-yl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 68800487
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CID 126745004
2-methyl-5,11-diazaheptacyclo[13.9.1.116,20.03,7.08,25.09,13.024,26]hexacosa-1,3(7),8(25),9(13),14,16,18,20(26),21,23-decaene-4,6,10,12-tetrone
CID 87451588
2,3,10,11-tetraethylpyranthrene-8,16-dione
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Frequently Asked Questions

What is the IUPAC name of 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone?
The IUPAC name of 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone (CID 102228647) is 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone.
What is the SMILES notation for 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone?
The canonical SMILES for 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone is O=c1[nH]c(=O)c2cc3cc4c(=O)[nH]c(=O)c5cc6ccc7cc1c2c1c7c6c(c54)c31.
What is the InChIKey of 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone?
The InChIKey is LRNDXVRDNWWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8N2O4/c27-21-10-3-7-1-2-8-4-11-18-13(24(30)26-22(11)28)6-9-5-12(23(29)25-21)17(10)19-14(7)15(8)20(18)16(9)19/h1-6H,(H,25,27,29)(H,26,28,30).
What are the key properties of 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone?
7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone has a molecular weight of 388.34 g/mol, XLogP of 3.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone is sourced from PubChem (CID 102228647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).