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

C38H22N2O6 — CID 2847483

IUPAC6,13-bis(4-phenoxyphenyl)-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)N1c1ccc(Oc2ccccc2)cc1)C(=O)N(c1ccc(Oc2ccccc2)cc1)C3=O
InChIInChI=1S/C38H22N2O6/c41-35-29-19-21-31-34-32(38(44)40(37(31)43)24-13-17-28(18-14-24)46-26-9-5-2-6-10-26)22-20-30(33(29)34)36(42)39(35)23-11-15-27(16-12-23)45-25-7-3-1-4-8-25/h1-22H
InChIKeyXTTJPCNRSYWHAK-UHFFFAOYSA-N
MW602.60 g/mol
LogP8.03
Rot. Bonds6

About 6,13-bis(4-phenoxyphenyl)-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-bis(4-phenoxyphenyl)-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 2847483) has the molecular formula C38H22N2O6 and a molecular weight of 602.60 g/mol. Its IUPAC name is 6,13-bis(4-phenoxyphenyl)-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-bis(4-phenoxyphenyl)-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 CID2847483
Molecular FormulaC38H22N2O6
Molecular Weight602.60 g/mol
Exact Mass602.15
IUPAC Name6,13-bis(4-phenoxyphenyl)-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)N1c1ccc(Oc2ccccc2)cc1)C(=O)N(c1ccc(Oc2ccccc2)cc1)C3=O
InChIInChI=1S/C38H22N2O6/c41-35-29-19-21-31-34-32(38(44)40(37(31)43)24-13-17-28(18-14-24)46-26-9-5-2-6-10-26)22-20-30(33(29)34)36(42)39(35)23-11-15-27(16-12-23)45-25-7-3-1-4-8-25/h1-22H
InChIKeyXTTJPCNRSYWHAK-UHFFFAOYSA-N
XLogP8.03
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.60
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,13-bis(4-phenoxyphenyl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,13-bis(4-phenoxyphenyl)-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-bis(4-phenoxyphenyl)-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 2847483) is 6,13-bis(4-phenoxyphenyl)-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-bis(4-phenoxyphenyl)-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-bis(4-phenoxyphenyl)-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)N1c1ccc(Oc2ccccc2)cc1)C(=O)N(c1ccc(Oc2ccccc2)cc1)C3=O.
What is the InChIKey of 6,13-bis(4-phenoxyphenyl)-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 XTTJPCNRSYWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O6/c41-35-29-19-21-31-34-32(38(44)40(37(31)43)24-13-17-28(18-14-24)46-26-9-5-2-6-10-26)22-20-30(33(29)34)36(42)39(35)23-11-15-27(16-12-23)45-25-7-3-1-4-8-25/h1-22H.
What are the key properties of 6,13-bis(4-phenoxyphenyl)-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-bis(4-phenoxyphenyl)-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 602.60 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(4-phenoxyphenyl)-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 2847483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).