11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

C42H18Cl4N6O4 — CID 139252101

IUPAC11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESO=C1c2cc(Cl)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Cl)cc(c2c37)C(=O)N1c1ccc(-n2ccnc2)cc1)c64)C(=O)N(c1ccc(-n2ccnc2)cc1)C5=O
InChIInChI=1S/C42H18Cl4N6O4/c43-27-13-23-31-24(40(54)51(39(23)53)21-5-1-19(2-6-21)49-11-9-47-17-49)14-28(44)34-36-30(46)16-26-32-25(15-29(45)35(38(32)36)33(27)37(31)34)41(55)52(42(26)56)22-7-3-20(4-8-22)50-12-10-48-18-50/h1-18H
InChIKeyRGYZHNZDMBCUDF-UHFFFAOYSA-N
MW812.46 g/mol
LogP10.32
Rot. Bonds4

About 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (PubChem CID 139252101) has the molecular formula C42H18Cl4N6O4 and a molecular weight of 812.46 g/mol. Its IUPAC name is 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
PubChem CID139252101
Molecular FormulaC42H18Cl4N6O4
Molecular Weight812.46 g/mol
Exact Mass810.01
IUPAC Name11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESO=C1c2cc(Cl)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Cl)cc(c2c37)C(=O)N1c1ccc(-n2ccnc2)cc1)c64)C(=O)N(c1ccc(-n2ccnc2)cc1)C5=O
InChIInChI=1S/C42H18Cl4N6O4/c43-27-13-23-31-24(40(54)51(39(23)53)21-5-1-19(2-6-21)49-11-9-47-17-49)14-28(44)34-36-30(46)16-26-32-25(15-29(45)35(38(32)36)33(27)37(31)34)41(55)52(42(26)56)22-7-3-20(4-8-22)50-12-10-48-18-50/h1-18H
InChIKeyRGYZHNZDMBCUDF-UHFFFAOYSA-N
XLogP10.32
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.46
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-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 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The IUPAC name of 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (CID 139252101) is 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The canonical SMILES for 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is O=C1c2cc(Cl)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Cl)cc(c2c37)C(=O)N1c1ccc(-n2ccnc2)cc1)c64)C(=O)N(c1ccc(-n2ccnc2)cc1)C5=O.
What is the InChIKey of 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The InChIKey is RGYZHNZDMBCUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H18Cl4N6O4/c43-27-13-23-31-24(40(54)51(39(23)53)21-5-1-19(2-6-21)49-11-9-47-17-49)14-28(44)34-36-30(46)16-26-32-25(15-29(45)35(38(32)36)33(27)37(31)34)41(55)52(42(26)56)22-7-3-20(4-8-22)50-12-10-48-18-50/h1-18H.
What are the key properties of 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone has a molecular weight of 812.46 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 139252101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).