2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

C26H13ClN2O4 — CID 1188104

IUPAC2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(c(Cl)cc(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C26H13ClN2O4/c27-19-13-18-20-16(23(30)28(25(18)32)14-7-3-1-4-8-14)11-12-17-21(20)22(19)26(33)29(24(17)31)15-9-5-2-6-10-15/h1-13H
InChIKeyJQHNYBZVROUNQL-UHFFFAOYSA-N
MW452.85 g/mol
LogP5.09
Rot. Bonds2

About 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (PubChem CID 1188104) has the molecular formula C26H13ClN2O4 and a molecular weight of 452.85 g/mol. Its IUPAC name is 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
PubChem CID1188104
Molecular FormulaC26H13ClN2O4
Molecular Weight452.85 g/mol
Exact Mass452.06
IUPAC Name2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(c(Cl)cc(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C26H13ClN2O4/c27-19-13-18-20-16(23(30)28(25(18)32)14-7-3-1-4-8-14)11-12-17-21(20)22(19)26(33)29(24(17)31)15-9-5-2-6-10-15/h1-13H
InChIKeyJQHNYBZVROUNQL-UHFFFAOYSA-N
XLogP5.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.85
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (CID 1188104) is 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is O=C1c2ccc3c4c(c(Cl)cc(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O.
What is the InChIKey of 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The InChIKey is JQHNYBZVROUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13ClN2O4/c27-19-13-18-20-16(23(30)28(25(18)32)14-7-3-1-4-8-14)11-12-17-21(20)22(19)26(33)29(24(17)31)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone has a molecular weight of 452.85 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 1188104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).