6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one

C170H153Br2F4N21O19 — CID 167619757

IUPAC6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cc3ccc4c5c(cccc35)C(=O)N4)cc2)CC1.Cc1ccc2c3c(cccc13)C(=O)N2.Nc1ccc(Cc2ccc3c4c(cccc24)C(=O)N3)cc1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Cc3ccc([N+](=O)[O-])cc3)c3cccc1c23.O=[N+]([O-])c1ccc(CBr)cc1.[C-]#[N+]c1ccc(F)c(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3ccc(Cc4ccc5c6c(cccc46)C(=O)N5)cc3)CC2)c(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3ccc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cc3)CC2)c(F)c1
InChIInChI=1S/C35H30FN5O3.C30H25FN4O.C28H31N3O3.C18H12N2O3.C18H14N2O.C12H9NO.C10H17NO3.C7H6BrNO2.C7H3F2N.C5H6BrNO2/c1-37-25-10-12-29(28(36)20-25)40-17-15-24(16-18-40)38-23-8-5-21(6-9-23)19-22-7-11-30-33-26(22)3-2-4-27(33)35(44)41(30)31-13-14-32(42)39-34(31)43;1-32-23-10-12-28(26(31)18-23)35-15-13-22(14-16-35)33-21-8-5-19(6-9-21)17-20-7-11-27-29-24(20)3-2-4-25(29)30(36)34-27;1-28(2,3)34-27(33)31-15-13-21(14-16-31)29-20-10-7-18(8-11-20)17-19-9-12-24-25-22(19)5-4-6-23(25)26(32)30-24;21-18-15-3-1-2-14-12(6-9-16(19-18)17(14)15)10-11-4-7-13(8-5-11)20(22)23;19-13-7-4-11(5-8-13)10-12-6-9-16-17-14(12)2-1-3-15(17)18(21)20-16;1-7-5-6-10-11-8(7)3-2-4-9(11)12(14)13-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-5-6-1-3-7(4-2-6)9(10)11;1-10-5-2-3-6(8)7(9)4-5;6-3-1-2-4(8)7-5(3)9/h2-12,20,24,31,38H,13-19H2,(H,39,42,43);2-12,18,22,33H,13-17H2,(H,34,36);4-12,21,29H,13-17H2,1-3H3,(H,30,32);1-9H,10H2,(H,19,21);1-9H,10,19H2,(H,20,21);2-6H,1H3,(H,13,14);4-7H2,1-3H3;1-4H,5H2;2-4H;3H,1-2H2,(H,7,8,9)
InChIKeyMGRJOEKRHBOKGO-UHFFFAOYSA-N
MW3030.02 g/mol
LogP35.52
Rot. Bonds22

About 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one

6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one (PubChem CID 167619757) has the molecular formula C170H153Br2F4N21O19 and a molecular weight of 3030.02 g/mol. Its IUPAC name is 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one
PubChem CID167619757
Molecular FormulaC170H153Br2F4N21O19
Molecular Weight3030.02 g/mol
Exact Mass3026.00
IUPAC Name6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cc3ccc4c5c(cccc35)C(=O)N4)cc2)CC1.Cc1ccc2c3c(cccc13)C(=O)N2.Nc1ccc(Cc2ccc3c4c(cccc24)C(=O)N3)cc1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Cc3ccc([N+](=O)[O-])cc3)c3cccc1c23.O=[N+]([O-])c1ccc(CBr)cc1.[C-]#[N+]c1ccc(F)c(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3ccc(Cc4ccc5c6c(cccc46)C(=O)N5)cc3)CC2)c(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3ccc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cc3)CC2)c(F)c1
InChIInChI=1S/C35H30FN5O3.C30H25FN4O.C28H31N3O3.C18H12N2O3.C18H14N2O.C12H9NO.C10H17NO3.C7H6BrNO2.C7H3F2N.C5H6BrNO2/c1-37-25-10-12-29(28(36)20-25)40-17-15-24(16-18-40)38-23-8-5-21(6-9-23)19-22-7-11-30-33-26(22)3-2-4-27(33)35(44)41(30)31-13-14-32(42)39-34(31)43;1-32-23-10-12-28(26(31)18-23)35-15-13-22(14-16-35)33-21-8-5-19(6-9-21)17-20-7-11-27-29-24(20)3-2-4-25(29)30(36)34-27;1-28(2,3)34-27(33)31-15-13-21(14-16-31)29-20-10-7-18(8-11-20)17-19-9-12-24-25-22(19)5-4-6-23(25)26(32)30-24;21-18-15-3-1-2-14-12(6-9-16(19-18)17(14)15)10-11-4-7-13(8-5-11)20(22)23;19-13-7-4-11(5-8-13)10-12-6-9-16-17-14(12)2-1-3-15(17)18(21)20-16;1-7-5-6-10-11-8(7)3-2-4-9(11)12(14)13-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-5-6-1-3-7(4-2-6)9(10)11;1-10-5-2-3-6(8)7(9)4-5;6-3-1-2-4(8)7-5(3)9/h2-12,20,24,31,38H,13-19H2,(H,39,42,43);2-12,18,22,33H,13-17H2,(H,34,36);4-12,21,29H,13-17H2,1-3H3,(H,30,32);1-9H,10H2,(H,19,21);1-9H,10,19H2,(H,20,21);2-6H,1H3,(H,13,14);4-7H2,1-3H3;1-4H,5H2;2-4H;3H,1-2H2,(H,7,8,9)
InChIKeyMGRJOEKRHBOKGO-UHFFFAOYSA-N
XLogP35.52
TPSA502.25 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003030.02
LogP ≤ 535.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one with MolForge

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Related Compounds

3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 167677418
tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzoyl]piperazine-1-carboxylate
CID 155194613
1,4-bis(chloromethyl)benzene;3-bromopiperidine-2,6-dione;1-[[4-(chloromethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine;6-methyl-1H-benzo[cd]indol-2-one;3-[2-oxo-6-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;1-(2,2,2-trifluoroethyl)piperazine;6-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methyl]-1H-benzo[cd]indol-2-one
CID 167691990
tert-butyl 4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]piperidine-1-carboxylate
CID 167471119
tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-isocyanopiperidine-1-carboxylate
CID 164836537
1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one
CID 167548187
bis(3-bromopiperidine-2,6-dione);tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;molecular hydrogen
CID 167673541
(3R)-3-[6-[[4-[[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207568
tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 155208106
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 6-hydroxy-2-oxobenzo[cd]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-[4-(morpholin-4-ylmethyl)phenoxy]-2-oxobenzo[cd]indole-1-carboxylate;6-hydroxy-1H-benzo[cd]indol-2-one;3-[6-[4-(morpholin-4-ylmethyl)phenoxy]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;[4-(morpholin-4-ylmethyl)phenyl]boronic acid;6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-benzo[cd]indol-2-one
CID 167581368
tert-butyl N-[[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]carbamate
CID 155194938
4-[4-[[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]piperidin-1-yl]-3-fluorobenzonitrile
CID 155194591

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one (CID 167619757) is 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one is CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cc3ccc4c5c(cccc35)C(=O)N4)cc2)CC1.Cc1ccc2c3c(cccc13)C(=O)N2.Nc1ccc(Cc2ccc3c4c(cccc24)C(=O)N3)cc1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Cc3ccc([N+](=O)[O-])cc3)c3cccc1c23.O=[N+]([O-])c1ccc(CBr)cc1.[C-]#[N+]c1ccc(F)c(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3ccc(Cc4ccc5c6c(cccc46)C(=O)N5)cc3)CC2)c(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3ccc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cc3)CC2)c(F)c1.
What is the InChIKey of 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one?
The InChIKey is MGRJOEKRHBOKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30FN5O3.C30H25FN4O.C28H31N3O3.C18H12N2O3.C18H14N2O.C12H9NO.C10H17NO3.C7H6BrNO2.C7H3F2N.C5H6BrNO2/c1-37-25-10-12-29(28(36)20-25)40-17-15-24(16-18-40)38-23-8-5-21(6-9-23)19-22-7-11-30-33-26(22)3-2-4-27(33)35(44)41(30)31-13-14-32(42)39-34(31)43;1-32-23-10-12-28(26(31)18-23)35-15-13-22(14-16-35)33-21-8-5-19(6-9-21)17-20-7-11-27-29-24(20)3-2-4-25(29)30(36)34-27;1-28(2,3)34-27(33)31-15-13-21(14-16-31)29-20-10-7-18(8-11-20)17-19-9-12-24-25-22(19)5-4-6-23(25)26(32)30-24;21-18-15-3-1-2-14-12(6-9-16(19-18)17(14)15)10-11-4-7-13(8-5-11)20(22)23;19-13-7-4-11(5-8-13)10-12-6-9-16-17-14(12)2-1-3-15(17)18(21)20-16;1-7-5-6-10-11-8(7)3-2-4-9(11)12(14)13-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-5-6-1-3-7(4-2-6)9(10)11;1-10-5-2-3-6(8)7(9)4-5;6-3-1-2-4(8)7-5(3)9/h2-12,20,24,31,38H,13-19H2,(H,39,42,43);2-12,18,22,33H,13-17H2,(H,34,36);4-12,21,29H,13-17H2,1-3H3,(H,30,32);1-9H,10H2,(H,19,21);1-9H,10,19H2,(H,20,21);2-6H,1H3,(H,13,14);4-7H2,1-3H3;1-4H,5H2;2-4H;3H,1-2H2,(H,7,8,9).
What are the key properties of 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one?
6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one has a molecular weight of 3030.02 g/mol, XLogP of 35.52, 22 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminophenyl)methyl]-1H-benzo[cd]indol-2-one;1-(bromomethyl)-4-nitrobenzene;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]anilino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1,2-difluoro-4-isocyanobenzene;6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[[1-(2-fluoro-4-isocyanophenyl)piperidin-4-yl]amino]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-methyl-1H-benzo[cd]indol-2-one;6-[(4-nitrophenyl)methyl]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 167619757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).