6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C26H8Cl2F4N2O4 — CID 171592044

IUPAC6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1ccccc1Cl)C(=O)N(c1ccccc1Cl)C3=O
InChIInChI=1S/C26H8Cl2F4N2O4/c27-9-5-1-3-7-11(9)33-23(35)15-13-14-17(21(31)19(15)29)25(37)34(12-8-4-2-6-10(12)28)26(38)18(14)22(32)20(30)16(13)24(33)36/h1-8H
InChIKeyBIRBMPVFUYJXOX-UHFFFAOYSA-N
MW559.26 g/mol
LogP6.30
Rot. Bonds2

About 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 171592044) has the molecular formula C26H8Cl2F4N2O4 and a molecular weight of 559.26 g/mol. Its IUPAC name is 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
PubChem CID171592044
Molecular FormulaC26H8Cl2F4N2O4
Molecular Weight559.26 g/mol
Exact Mass557.98
IUPAC Name6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1ccccc1Cl)C(=O)N(c1ccccc1Cl)C3=O
InChIInChI=1S/C26H8Cl2F4N2O4/c27-9-5-1-3-7-11(9)33-23(35)15-13-14-17(21(31)19(15)29)25(37)34(12-8-4-2-6-10(12)28)26(38)18(14)22(32)20(30)16(13)24(33)36/h1-8H
InChIKeyBIRBMPVFUYJXOX-UHFFFAOYSA-N
XLogP6.30
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.26
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 171592044) is 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is O=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1ccccc1Cl)C(=O)N(c1ccccc1Cl)C3=O.
What is the InChIKey of 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The InChIKey is BIRBMPVFUYJXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H8Cl2F4N2O4/c27-9-5-1-3-7-11(9)33-23(35)15-13-14-17(21(31)19(15)29)25(37)34(12-8-4-2-6-10(12)28)26(38)18(14)22(32)20(30)16(13)24(33)36/h1-8H.
What are the key properties of 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 559.26 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(2-chlorophenyl)-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 171592044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).