6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C24H12N4O4 — CID 1381898

IUPAC6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccncc1)C(=O)N(c1ccncc1)C3=O
InChIInChI=1S/C24H12N4O4/c29-21-15-1-2-16-20-18(24(32)28(22(16)30)14-7-11-26-12-8-14)4-3-17(19(15)20)23(31)27(21)13-5-9-25-10-6-13/h1-12H
InChIKeyIBRPEOCBRYYINT-UHFFFAOYSA-N
MW420.38 g/mol
LogP3.23
Rot. Bonds2

About 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 1381898) has the molecular formula C24H12N4O4 and a molecular weight of 420.38 g/mol. Its IUPAC name is 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID1381898
Molecular FormulaC24H12N4O4
Molecular Weight420.38 g/mol
Exact Mass420.09
IUPAC Name6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccncc1)C(=O)N(c1ccncc1)C3=O
InChIInChI=1S/C24H12N4O4/c29-21-15-1-2-16-20-18(24(32)28(22(16)30)14-7-11-26-12-8-14)4-3-17(19(15)20)23(31)27(21)13-5-9-25-10-6-13/h1-12H
InChIKeyIBRPEOCBRYYINT-UHFFFAOYSA-N
XLogP3.23
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 1381898) is 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccncc1)C(=O)N(c1ccncc1)C3=O.
What is the InChIKey of 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is IBRPEOCBRYYINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N4O4/c29-21-15-1-2-16-20-18(24(32)28(22(16)30)14-7-11-26-12-8-14)4-3-17(19(15)20)23(31)27(21)13-5-9-25-10-6-13/h1-12H.
What are the key properties of 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 420.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 1381898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).