7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione

C22H18N6O2 — CID 44513970

IUPAC7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione
SMILESO=C1N(c2ccccc2)c2nc(-c3ccccc3)n3c(=O)[nH]nc3c2C2CCCN12
InChIInChI=1S/C22H18N6O2/c29-21-25-24-20-17-16-12-7-13-26(16)22(30)27(15-10-5-2-6-11-15)19(17)23-18(28(20)21)14-8-3-1-4-9-14/h1-6,8-11,16H,7,12-13H2,(H,25,29)
InChIKeyRZXKOEKWWWZGLD-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.49
Rot. Bonds2

About 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione

7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione (PubChem CID 44513970) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione.

Molecular Properties

Compound Name7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione
PubChem CID44513970
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione
SMILESO=C1N(c2ccccc2)c2nc(-c3ccccc3)n3c(=O)[nH]nc3c2C2CCCN12
InChIInChI=1S/C22H18N6O2/c29-21-25-24-20-17-16-12-7-13-26(16)22(30)27(15-10-5-2-6-11-15)19(17)23-18(28(20)21)14-8-3-1-4-9-14/h1-6,8-11,16H,7,12-13H2,(H,25,29)
InChIKeyRZXKOEKWWWZGLD-UHFFFAOYSA-N
XLogP3.49
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
The IUPAC name of 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione (CID 44513970) is 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione.
What is the SMILES notation for 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
The canonical SMILES for 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione is O=C1N(c2ccccc2)c2nc(-c3ccccc3)n3c(=O)[nH]nc3c2C2CCCN12.
What is the InChIKey of 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
The InChIKey is RZXKOEKWWWZGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-21-25-24-20-17-16-12-7-13-26(16)22(30)27(15-10-5-2-6-11-15)19(17)23-18(28(20)21)14-8-3-1-4-9-14/h1-6,8-11,16H,7,12-13H2,(H,25,29).
What are the key properties of 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione has a molecular weight of 398.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione is sourced from PubChem (CID 44513970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).