11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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

C48H38Cl4N2O4 — CID 135076245

IUPAC11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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
SMILESCC(C)c1ccc(N2C(=O)c3cc(Cl)c4c5c(Cl)cc6c7c(cc(Cl)c(c8c(Cl)cc(c3c48)C2=O)c75)C(=O)N(c2ccc(C(C)C)cc2C(C)C)C6=O)c(C(C)C)c1
InChIInChI=1S/C48H38Cl4N2O4/c1-19(2)23-9-11-35(25(13-23)21(5)6)53-45(55)27-15-31(49)39-41-33(51)17-29-38-30(48(58)54(47(29)57)36-12-10-24(20(3)4)14-26(36)22(7)8)18-34(52)42(44(38)41)40-32(50)16-28(46(53)56)37(27)43(39)40/h9-22H,1-8H3
InChIKeyFQPOSNMNJUCMOS-UHFFFAOYSA-N
MW848.65 g/mol
LogP14.45
Rot. Bonds6

About 11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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[2,4-di(propan-2-yl)phenyl]-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 135076245) has the molecular formula C48H38Cl4N2O4 and a molecular weight of 848.65 g/mol. Its IUPAC name is 11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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[2,4-di(propan-2-yl)phenyl]-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 CID135076245
Molecular FormulaC48H38Cl4N2O4
Molecular Weight848.65 g/mol
Exact Mass846.16
IUPAC Name11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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
SMILESCC(C)c1ccc(N2C(=O)c3cc(Cl)c4c5c(Cl)cc6c7c(cc(Cl)c(c8c(Cl)cc(c3c48)C2=O)c75)C(=O)N(c2ccc(C(C)C)cc2C(C)C)C6=O)c(C(C)C)c1
InChIInChI=1S/C48H38Cl4N2O4/c1-19(2)23-9-11-35(25(13-23)21(5)6)53-45(55)27-15-31(49)39-41-33(51)17-29-38-30(48(58)54(47(29)57)36-12-10-24(20(3)4)14-26(36)22(7)8)18-34(52)42(44(38)41)40-32(50)16-28(46(53)56)37(27)43(39)40/h9-22H,1-8H3
InChIKeyFQPOSNMNJUCMOS-UHFFFAOYSA-N
XLogP14.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.65
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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[2,4-di(propan-2-yl)phenyl]-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

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Frequently Asked Questions

What is the IUPAC name of 11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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[2,4-di(propan-2-yl)phenyl]-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 135076245) is 11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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[2,4-di(propan-2-yl)phenyl]-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[2,4-di(propan-2-yl)phenyl]-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 CC(C)c1ccc(N2C(=O)c3cc(Cl)c4c5c(Cl)cc6c7c(cc(Cl)c(c8c(Cl)cc(c3c48)C2=O)c75)C(=O)N(c2ccc(C(C)C)cc2C(C)C)C6=O)c(C(C)C)c1.
What is the InChIKey of 11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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 FQPOSNMNJUCMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38Cl4N2O4/c1-19(2)23-9-11-35(25(13-23)21(5)6)53-45(55)27-15-31(49)39-41-33(51)17-29-38-30(48(58)54(47(29)57)36-12-10-24(20(3)4)14-26(36)22(7)8)18-34(52)42(44(38)41)40-32(50)16-28(46(53)56)37(27)43(39)40/h9-22H,1-8H3.
What are the key properties of 11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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[2,4-di(propan-2-yl)phenyl]-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 848.65 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,22,26-tetrachloro-7,18-bis[2,4-di(propan-2-yl)phenyl]-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 135076245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).