bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate

C140H117Br2N11O24 — CID 172988607

IUPACbis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccc(Br)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccc(Br)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)C3.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CC3
InChIInChI=1S/C31H29N3O6.C28H24N2O4.2C27H21BrN2O5.C27H22N2O4/c1-3-34-27-9-6-21(30(36)20-4-7-22(8-5-20)33-11-14-38-15-12-33)16-23(27)24-17-25-29(18-28(24)34)39-13-10-26(31(25)37)32-40-19(2)35;1-4-30-24-13-9-18(27(32)19-8-6-5-7-16(19)2)15-22(24)26-20-10-12-23(29-34-17(3)31)28(33)21(20)11-14-25(26)30;2*1-3-30-23-9-6-17(26(32)16-4-7-18(28)8-5-16)12-19(23)20-13-21-25(14-24(20)30)34-11-10-22(27(21)33)29-35-15(2)31;1-4-29-23-11-9-17(26(31)18-8-6-5-7-15(18)2)13-21(23)25-20-14-22(28-33-16(3)30)27(32)19(20)10-12-24(25)29/h4-9,16-18H,3,10-15H2,1-2H3;5-9,11,13-15H,4,10,12H2,1-3H3;2*4-9,12-14H,3,10-11H2,1-2H3;5-13H,4,14H2,1-3H3/b32-26+;29-23+;2*29-22+;28-22+
InChIKeyYBUMJEVOLMRFJN-DWJYFAJESA-N
MW2497.34 g/mol
LogP26.56
Rot. Bonds21

About bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate

bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate (PubChem CID 172988607) has the molecular formula C140H117Br2N11O24 and a molecular weight of 2497.34 g/mol. Its IUPAC name is bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate.

Molecular Properties

Compound Namebis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate
PubChem CID172988607
Molecular FormulaC140H117Br2N11O24
Molecular Weight2497.34 g/mol
Exact Mass2493.66
IUPAC Namebis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccc(Br)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccc(Br)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)C3.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CC3
InChIInChI=1S/C31H29N3O6.C28H24N2O4.2C27H21BrN2O5.C27H22N2O4/c1-3-34-27-9-6-21(30(36)20-4-7-22(8-5-20)33-11-14-38-15-12-33)16-23(27)24-17-25-29(18-28(24)34)39-13-10-26(31(25)37)32-40-19(2)35;1-4-30-24-13-9-18(27(32)19-8-6-5-7-16(19)2)15-22(24)26-20-10-12-23(29-34-17(3)31)28(33)21(20)11-14-25(26)30;2*1-3-30-23-9-6-17(26(32)16-4-7-18(28)8-5-16)12-19(23)20-13-21-25(14-24(20)30)34-11-10-22(27(21)33)29-35-15(2)31;1-4-29-23-11-9-17(26(31)18-8-6-5-7-15(18)2)13-21(23)25-20-14-22(28-33-16(3)30)27(32)19(20)10-12-24(25)29/h4-9,16-18H,3,10-15H2,1-2H3;5-9,11,13-15H,4,10,12H2,1-3H3;2*4-9,12-14H,3,10-11H2,1-2H3;5-13H,4,14H2,1-3H3/b32-26+;29-23+;2*29-22+;28-22+
InChIKeyYBUMJEVOLMRFJN-DWJYFAJESA-N
XLogP26.56
TPSA428.81 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002497.34
LogP ≤ 526.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate 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 bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate?
The IUPAC name of bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate (CID 172988607) is bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate.
What is the SMILES notation for bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate?
The canonical SMILES for bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate is CCn1c2ccc(C(=O)c3ccc(Br)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccc(Br)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3)cc2c2cc3c(cc21)OCC/C(=N\OC(C)=O)C3=O.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)C3.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CC3.
What is the InChIKey of bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate?
The InChIKey is YBUMJEVOLMRFJN-DWJYFAJESA-N. The full InChI is InChI=1S/C31H29N3O6.C28H24N2O4.2C27H21BrN2O5.C27H22N2O4/c1-3-34-27-9-6-21(30(36)20-4-7-22(8-5-20)33-11-14-38-15-12-33)16-23(27)24-17-25-29(18-28(24)34)39-13-10-26(31(25)37)32-40-19(2)35;1-4-30-24-13-9-18(27(32)19-8-6-5-7-16(19)2)15-22(24)26-20-10-12-23(29-34-17(3)31)28(33)21(20)11-14-25(26)30;2*1-3-30-23-9-6-17(26(32)16-4-7-18(28)8-5-16)12-19(23)20-13-21-25(14-24(20)30)34-11-10-22(27(21)33)29-35-15(2)31;1-4-29-23-11-9-17(26(31)18-8-6-5-7-15(18)2)13-21(23)25-20-14-22(28-33-16(3)30)27(32)19(20)10-12-24(25)29/h4-9,16-18H,3,10-15H2,1-2H3;5-9,11,13-15H,4,10,12H2,1-3H3;2*4-9,12-14H,3,10-11H2,1-2H3;5-13H,4,14H2,1-3H3/b32-26+;29-23+;2*29-22+;28-22+.
What are the key properties of bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate?
bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate has a molecular weight of 2497.34 g/mol, XLogP of 26.56, 21 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate is sourced from PubChem (CID 172988607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).