5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione

C123H104N18O13 — CID 159368159

IUPAC5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
SMILESO=C1c2cccc3c(-n4ncc5ccccc54)ccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O.O=C1c2cccc3cc(-n4c5ccccc5c5ccccc54)cc(c23)C(=O)N1CCNCCCNCCn1c(O)c2cccc3cc4c(c(c1=O)c32)=NC=C4.O=C1c2cccc3cc4ccncc4c(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O
InChIInChI=1S/C45H36N6O4.C40H32N6O5.C38H36N6O4/c52-42-33-12-6-9-28-25-30(51-36-14-3-1-10-31(36)32-11-2-4-15-37(32)51)26-35(38(28)33)44(54)49(42)22-20-46-17-7-18-47-21-23-50-43(53)34-13-5-8-27-24-29-16-19-48-41(29)40(39(27)34)45(50)55;47-37-28-9-3-7-26-33(46-32-11-2-1-6-25(32)23-43-46)13-12-30(34(26)28)39(49)44(37)19-17-41-15-5-16-42-18-20-45-38(48)29-10-4-8-27-35(29)31(40(45)50)22-24-14-21-51-36(24)27;45-35-27-8-3-6-25-22-24-12-15-41-23-30(24)34(32(25)27)38(48)44(35)21-17-40-14-5-13-39-16-20-43-36(46)28-9-4-7-26-31(42-18-1-2-19-42)11-10-29(33(26)28)37(43)47/h1-6,8-16,19,24-26,46-47,53H,7,17-18,20-23H2;1-4,6-14,21-23,41-42H,5,15-20H2;3-4,6-12,15,22-23,39-40H,1-2,5,13-14,16-21H2
InChIKeyWEWPJBLTQJRQFF-UHFFFAOYSA-N
MW2042.30 g/mol
LogP16.44
Rot. Bonds33

About 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione

5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione (PubChem CID 159368159) has the molecular formula C123H104N18O13 and a molecular weight of 2042.30 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione.

Molecular Properties

Compound Name5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
PubChem CID159368159
Molecular FormulaC123H104N18O13
Molecular Weight2042.30 g/mol
Exact Mass2040.80
IUPAC Name5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
SMILESO=C1c2cccc3c(-n4ncc5ccccc54)ccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O.O=C1c2cccc3cc(-n4c5ccccc5c5ccccc54)cc(c23)C(=O)N1CCNCCCNCCn1c(O)c2cccc3cc4c(c(c1=O)c32)=NC=C4.O=C1c2cccc3cc4ccncc4c(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O
InChIInChI=1S/C45H36N6O4.C40H32N6O5.C38H36N6O4/c52-42-33-12-6-9-28-25-30(51-36-14-3-1-10-31(36)32-11-2-4-15-37(32)51)26-35(38(28)33)44(54)49(42)22-20-46-17-7-18-47-21-23-50-43(53)34-13-5-8-27-24-29-16-19-48-41(29)40(39(27)34)45(50)55;47-37-28-9-3-7-26-33(46-32-11-2-1-6-25(32)23-43-46)13-12-30(34(26)28)39(49)44(37)19-17-41-15-5-16-42-18-20-45-38(48)29-10-4-8-27-35(29)31(40(45)50)22-24-14-21-51-36(24)27;45-35-27-8-3-6-25-22-24-12-15-41-23-30(24)34(32(25)27)38(48)44(35)21-17-40-14-5-13-39-16-20-43-36(46)28-9-4-7-26-31(42-18-1-2-19-42)11-10-29(33(26)28)37(43)47/h1-6,8-16,19,24-26,46-47,53H,7,17-18,20-23H2;1-4,6-14,21-23,41-42H,5,15-20H2;3-4,6-12,15,22-23,39-40H,1-2,5,13-14,16-21H2
InChIKeyWEWPJBLTQJRQFF-UHFFFAOYSA-N
XLogP16.44
TPSA365.69 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.30
LogP ≤ 516.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(1-benzofuran-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;(2S)-2-[[2-(1-benzofuran-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]propanamide;2-cyclohexyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;1-[6-(1H-indazol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;(2S)-2-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]propanamide;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]pyrrolidin-2-one
CID 160397759
3-[7-[2-[5-[[4-[2-acetyl-7-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dihydroisoindol-5-yl]piperidin-1-yl]methyl]-2-pyridinyl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176375809
3-[6-[[1-[2-[4-[2-acetyl-7-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoindol-5-yl]piperidin-1-yl]ethyl]piperidin-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176375908
5-[[3-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]quinolin-8-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177974097
5-[2-[3-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-N-methylanilino]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177974362
3-[2-[3-[2-(6-Indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
CID 44815861
3-[1-[1-[1-(6-Indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
CID 88946123
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
CID 134204625
N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
CID 134204626
7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline
CID 141084270
8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
CID 146486621
3-[2-[3-[2-(2,4-Dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethylamino]propylamino]ethyl]-7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;11-[2-[3-[2-(6-imidazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
CID 157088355

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
The IUPAC name of 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione (CID 159368159) is 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione.
What is the SMILES notation for 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
The canonical SMILES for 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione is O=C1c2cccc3c(-n4ncc5ccccc54)ccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O.O=C1c2cccc3cc(-n4c5ccccc5c5ccccc54)cc(c23)C(=O)N1CCNCCCNCCn1c(O)c2cccc3cc4c(c(c1=O)c32)=NC=C4.O=C1c2cccc3cc4ccncc4c(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O.
What is the InChIKey of 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
The InChIKey is WEWPJBLTQJRQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N6O4.C40H32N6O5.C38H36N6O4/c52-42-33-12-6-9-28-25-30(51-36-14-3-1-10-31(36)32-11-2-4-15-37(32)51)26-35(38(28)33)44(54)49(42)22-20-46-17-7-18-47-21-23-50-43(53)34-13-5-8-27-24-29-16-19-48-41(29)40(39(27)34)45(50)55;47-37-28-9-3-7-26-33(46-32-11-2-1-6-25(32)23-43-46)13-12-30(34(26)28)39(49)44(37)19-17-41-15-5-16-42-18-20-45-38(48)29-10-4-8-27-35(29)31(40(45)50)22-24-14-21-51-36(24)27;45-35-27-8-3-6-25-22-24-12-15-41-23-30(24)34(32(25)27)38(48)44(35)21-17-40-14-5-13-39-16-20-43-36(46)28-9-4-7-26-31(42-18-1-2-19-42)11-10-29(33(26)28)37(43)47/h1-6,8-16,19,24-26,46-47,53H,7,17-18,20-23H2;1-4,6-14,21-23,41-42H,5,15-20H2;3-4,6-12,15,22-23,39-40H,1-2,5,13-14,16-21H2.
What are the key properties of 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione has a molecular weight of 2042.30 g/mol, XLogP of 16.44, 33 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[2-[3-[2-(6-hydroxy-8-oxo-7,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,9(16),10,12,14-heptaen-7-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione;15-[2-[3-[2-(1,3-dioxo-6-pyrrolidin-1-ylbenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(6-indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione is sourced from PubChem (CID 159368159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).