3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione

C387H354N56O47S — CID 158912465

IUPAC3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione
SMILESC=C(Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)c(OC)c1)N(C)C.CC1(C)CC=C(c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)CC1.CC1(C)CCN(c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)CC1.COc1cc(-c2ccc(C)cc2)ccc1CCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O.Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)c2ncccc12.Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)cc1.Cc1ccc(-c2ccccc2CN2CCN(c3ccc(CCn4c5c(n[n+]4[O-])C(=O)c4ccccc4C5=O)cc3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)CC2)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCN1CCC(CCCN2CCCCC2)CC1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2ccc(CCCN3CCCCC3)cc2O)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2ccc3sc(CCc4ccccc4)nc3c2)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2cccc3ccc(=O)[nH]c23)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(C2CCCCCC2)cc1.[H]/N=C1\c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(N2CCC(C)(OC)CC2)cc1
InChIInChI=1S/C36H33N5O3.C33H24N4O3S.C32H32N4O4.C30H28N4O4.C28H20N4O3.C27H18N4O4.C26H21N3O4.C26H25N3O3.C25H27N5O3.C25H33N5O3.C25H26N4O3.C25H19N3O3.C25H25N3O3.C24H23N5O4/c1-25-10-14-27(15-11-25)30-7-3-2-6-28(30)24-38-20-22-39(23-21-38)29-16-12-26(13-17-29)18-19-40-34-33(37-41(40)44)35(42)31-8-4-5-9-32(31)36(34)43;38-32-25-8-4-5-9-26(25)33(39)31-30(32)35-37(40)36(31)19-18-22-10-13-23(14-11-22)24-15-16-28-27(20-24)34-29(41-28)17-12-21-6-2-1-3-7-21;37-28-21-23(7-6-19-34-17-4-1-5-18-34)12-15-25(28)24-13-10-22(11-14-24)16-20-35-30-29(33-36(35)40)31(38)26-8-2-3-9-27(26)32(30)39;1-19(32(2)3)17-21-11-14-23(26(18-21)38-4)22-12-9-20(10-13-22)15-16-33-28-27(31-34(33)37)29(35)24-7-5-6-8-25(24)30(28)36;1-17-8-13-21(24-20(17)7-4-15-29-24)19-11-9-18(10-12-19)14-16-31-26-25(30-32(31)35)27(33)22-5-2-3-6-23(22)28(26)34;32-22-13-12-18-4-3-7-19(23(18)28-22)17-10-8-16(9-11-17)14-15-30-25-24(29-31(30)35)26(33)20-5-1-2-6-21(20)27(25)34;1-16-7-9-17(10-8-16)19-12-11-18(22(15-19)33-2)13-14-28-24-23(27-29(28)32)25(30)20-5-3-4-6-21(20)26(24)31;1-26(2)14-11-19(12-15-26)18-9-7-17(8-10-18)13-16-28-23-22(27-29(28)32)24(30)20-5-3-4-6-21(20)25(23)31;1-25(33-2)12-15-28(16-13-25)18-9-7-17(8-10-18)11-14-29-23-22(27-30(29)32)21(26)19-5-3-4-6-20(19)24(23)31;31-24-20-8-2-3-9-21(20)25(32)23-22(24)26-30(33)29(23)18-17-28-15-10-19(11-16-28)7-6-14-27-12-4-1-5-13-27;1-25(2)12-15-27(16-13-25)18-9-7-17(8-10-18)11-14-28-22-21(26-29(28)32)23(30)19-5-3-4-6-20(19)24(22)31;1-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-27-23-22(26-28(27)31)24(29)20-4-2-3-5-21(20)25(23)30;29-24-20-9-5-6-10-21(20)25(30)23-22(24)26-28(31)27(23)16-15-17-11-13-19(14-12-17)18-7-3-1-2-4-8-18;1-16-6-8-17(9-7-16)26-12-14-27(15-13-26)20(30)10-11-28-22-21(25-29(28)33)23(31)18-4-2-3-5-19(18)24(22)32/h2-17H,18-24H2,1H3;1-11,13-16,20H,12,17-19H2;2-3,8-15,21,37H,1,4-7,16-20H2;5-14,18H,1,15-17H2,2-4H3;2-13,15H,14,16H2,1H3;1-13H,14-15H2,(H,28,32);3-12,15H,13-14H2,1-2H3;3-11H,12-16H2,1-2H3;3-10,26H,11-16H2,1-2H3;2-3,8-9,19H,1,4-7,10-18H2;3-10H,11-16H2,1-2H3;2-13H,14-15H2,1H3;5-6,9-14,18H,1-4,7-8,15-16H2;2-9H,10-15H2,1H3/b;;;;;;;;26-21+;;;;;
InChIKeyJGUZRYAXVRBGLY-SUFLISQVSA-N
MW6573.50 g/mol
LogP50.31
Rot. Bonds75

About 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione

3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione (PubChem CID 158912465) has the molecular formula C387H354N56O47S and a molecular weight of 6573.50 g/mol. Its IUPAC name is 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione.

Molecular Properties

Compound Name3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione
PubChem CID158912465
Molecular FormulaC387H354N56O47S
Molecular Weight6573.50 g/mol
Exact Mass6568.68
IUPAC Name3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione
SMILESC=C(Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)c(OC)c1)N(C)C.CC1(C)CC=C(c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)CC1.CC1(C)CCN(c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)CC1.COc1cc(-c2ccc(C)cc2)ccc1CCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O.Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)c2ncccc12.Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)cc1.Cc1ccc(-c2ccccc2CN2CCN(c3ccc(CCn4c5c(n[n+]4[O-])C(=O)c4ccccc4C5=O)cc3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)CC2)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCN1CCC(CCCN2CCCCC2)CC1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2ccc(CCCN3CCCCC3)cc2O)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2ccc3sc(CCc4ccccc4)nc3c2)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2cccc3ccc(=O)[nH]c23)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(C2CCCCCC2)cc1.[H]/N=C1\c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(N2CCC(C)(OC)CC2)cc1
InChIInChI=1S/C36H33N5O3.C33H24N4O3S.C32H32N4O4.C30H28N4O4.C28H20N4O3.C27H18N4O4.C26H21N3O4.C26H25N3O3.C25H27N5O3.C25H33N5O3.C25H26N4O3.C25H19N3O3.C25H25N3O3.C24H23N5O4/c1-25-10-14-27(15-11-25)30-7-3-2-6-28(30)24-38-20-22-39(23-21-38)29-16-12-26(13-17-29)18-19-40-34-33(37-41(40)44)35(42)31-8-4-5-9-32(31)36(34)43;38-32-25-8-4-5-9-26(25)33(39)31-30(32)35-37(40)36(31)19-18-22-10-13-23(14-11-22)24-15-16-28-27(20-24)34-29(41-28)17-12-21-6-2-1-3-7-21;37-28-21-23(7-6-19-34-17-4-1-5-18-34)12-15-25(28)24-13-10-22(11-14-24)16-20-35-30-29(33-36(35)40)31(38)26-8-2-3-9-27(26)32(30)39;1-19(32(2)3)17-21-11-14-23(26(18-21)38-4)22-12-9-20(10-13-22)15-16-33-28-27(31-34(33)37)29(35)24-7-5-6-8-25(24)30(28)36;1-17-8-13-21(24-20(17)7-4-15-29-24)19-11-9-18(10-12-19)14-16-31-26-25(30-32(31)35)27(33)22-5-2-3-6-23(22)28(26)34;32-22-13-12-18-4-3-7-19(23(18)28-22)17-10-8-16(9-11-17)14-15-30-25-24(29-31(30)35)26(33)20-5-1-2-6-21(20)27(25)34;1-16-7-9-17(10-8-16)19-12-11-18(22(15-19)33-2)13-14-28-24-23(27-29(28)32)25(30)20-5-3-4-6-21(20)26(24)31;1-26(2)14-11-19(12-15-26)18-9-7-17(8-10-18)13-16-28-23-22(27-29(28)32)24(30)20-5-3-4-6-21(20)25(23)31;1-25(33-2)12-15-28(16-13-25)18-9-7-17(8-10-18)11-14-29-23-22(27-30(29)32)21(26)19-5-3-4-6-20(19)24(23)31;31-24-20-8-2-3-9-21(20)25(32)23-22(24)26-30(33)29(23)18-17-28-15-10-19(11-16-28)7-6-14-27-12-4-1-5-13-27;1-25(2)12-15-27(16-13-25)18-9-7-17(8-10-18)11-14-28-22-21(26-29(28)32)23(30)19-5-3-4-6-20(19)24(22)31;1-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-27-23-22(26-28(27)31)24(29)20-4-2-3-5-21(20)25(23)30;29-24-20-9-5-6-10-21(20)25(30)23-22(24)26-28(31)27(23)16-15-17-11-13-19(14-12-17)18-7-3-1-2-4-8-18;1-16-6-8-17(9-7-16)26-12-14-27(15-13-26)20(30)10-11-28-22-21(25-29(28)33)23(31)18-4-2-3-5-19(18)24(22)32/h2-17H,18-24H2,1H3;1-11,13-16,20H,12,17-19H2;2-3,8-15,21,37H,1,4-7,16-20H2;5-14,18H,1,15-17H2,2-4H3;2-13,15H,14,16H2,1H3;1-13H,14-15H2,(H,28,32);3-12,15H,13-14H2,1-2H3;3-11H,12-16H2,1-2H3;3-10,26H,11-16H2,1-2H3;2-3,8-9,19H,1,4-7,10-18H2;3-10H,11-16H2,1-2H3;2-13H,14-15H2,1H3;5-6,9-14,18H,1-4,7-8,15-16H2;2-9H,10-15H2,1H3/b;;;;;;;;26-21+;;;;;
InChIKeyJGUZRYAXVRBGLY-SUFLISQVSA-N
XLogP50.31
TPSA1267.41 Ų
H-Bond Donors3
H-Bond Acceptors88
Rotatable Bonds75
Heavy Atoms491
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006573.50
LogP ≤ 550.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1088

Analyze 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione 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 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione?
The IUPAC name of 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione (CID 158912465) is 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione.
What is the SMILES notation for 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione?
The canonical SMILES for 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione is C=C(Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)c(OC)c1)N(C)C.CC1(C)CC=C(c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)CC1.CC1(C)CCN(c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)CC1.COc1cc(-c2ccc(C)cc2)ccc1CCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O.Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)c2ncccc12.Cc1ccc(-c2ccc(CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)cc1.Cc1ccc(-c2ccccc2CN2CCN(c3ccc(CCn4c5c(n[n+]4[O-])C(=O)c4ccccc4C5=O)cc3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CCn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)CC2)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCN1CCC(CCCN2CCCCC2)CC1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2ccc(CCCN3CCCCC3)cc2O)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2ccc3sc(CCc4ccccc4)nc3c2)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(-c2cccc3ccc(=O)[nH]c23)cc1.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(C2CCCCCC2)cc1.[H]/N=C1\c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(N2CCC(C)(OC)CC2)cc1.
What is the InChIKey of 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione?
The InChIKey is JGUZRYAXVRBGLY-SUFLISQVSA-N. The full InChI is InChI=1S/C36H33N5O3.C33H24N4O3S.C32H32N4O4.C30H28N4O4.C28H20N4O3.C27H18N4O4.C26H21N3O4.C26H25N3O3.C25H27N5O3.C25H33N5O3.C25H26N4O3.C25H19N3O3.C25H25N3O3.C24H23N5O4/c1-25-10-14-27(15-11-25)30-7-3-2-6-28(30)24-38-20-22-39(23-21-38)29-16-12-26(13-17-29)18-19-40-34-33(37-41(40)44)35(42)31-8-4-5-9-32(31)36(34)43;38-32-25-8-4-5-9-26(25)33(39)31-30(32)35-37(40)36(31)19-18-22-10-13-23(14-11-22)24-15-16-28-27(20-24)34-29(41-28)17-12-21-6-2-1-3-7-21;37-28-21-23(7-6-19-34-17-4-1-5-18-34)12-15-25(28)24-13-10-22(11-14-24)16-20-35-30-29(33-36(35)40)31(38)26-8-2-3-9-27(26)32(30)39;1-19(32(2)3)17-21-11-14-23(26(18-21)38-4)22-12-9-20(10-13-22)15-16-33-28-27(31-34(33)37)29(35)24-7-5-6-8-25(24)30(28)36;1-17-8-13-21(24-20(17)7-4-15-29-24)19-11-9-18(10-12-19)14-16-31-26-25(30-32(31)35)27(33)22-5-2-3-6-23(22)28(26)34;32-22-13-12-18-4-3-7-19(23(18)28-22)17-10-8-16(9-11-17)14-15-30-25-24(29-31(30)35)26(33)20-5-1-2-6-21(20)27(25)34;1-16-7-9-17(10-8-16)19-12-11-18(22(15-19)33-2)13-14-28-24-23(27-29(28)32)25(30)20-5-3-4-6-21(20)26(24)31;1-26(2)14-11-19(12-15-26)18-9-7-17(8-10-18)13-16-28-23-22(27-29(28)32)24(30)20-5-3-4-6-21(20)25(23)31;1-25(33-2)12-15-28(16-13-25)18-9-7-17(8-10-18)11-14-29-23-22(27-30(29)32)21(26)19-5-3-4-6-20(19)24(23)31;31-24-20-8-2-3-9-21(20)25(32)23-22(24)26-30(33)29(23)18-17-28-15-10-19(11-16-28)7-6-14-27-12-4-1-5-13-27;1-25(2)12-15-27(16-13-25)18-9-7-17(8-10-18)11-14-28-22-21(26-29(28)32)23(30)19-5-3-4-6-20(19)24(22)31;1-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-27-23-22(26-28(27)31)24(29)20-4-2-3-5-21(20)25(23)30;29-24-20-9-5-6-10-21(20)25(30)23-22(24)26-28(31)27(23)16-15-17-11-13-19(14-12-17)18-7-3-1-2-4-8-18;1-16-6-8-17(9-7-16)26-12-14-27(15-13-26)20(30)10-11-28-22-21(25-29(28)33)23(31)18-4-2-3-5-19(18)24(22)32/h2-17H,18-24H2,1H3;1-11,13-16,20H,12,17-19H2;2-3,8-15,21,37H,1,4-7,16-20H2;5-14,18H,1,15-17H2,2-4H3;2-13,15H,14,16H2,1H3;1-13H,14-15H2,(H,28,32);3-12,15H,13-14H2,1-2H3;3-11H,12-16H2,1-2H3;3-10,26H,11-16H2,1-2H3;2-3,8-9,19H,1,4-7,10-18H2;3-10H,11-16H2,1-2H3;2-13H,14-15H2,1H3;5-6,9-14,18H,1-4,7-8,15-16H2;2-9H,10-15H2,1H3/b;;;;;;;;26-21+;;;;;.
What are the key properties of 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione?
3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione has a molecular weight of 6573.50 g/mol, XLogP of 50.31, 75 rotatable bonds, 3 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[2-(dimethylamino)prop-2-enyl]-2-methoxyphenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[2-hydroxy-4-(3-piperidin-1-ylpropyl)phenyl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;9-imino-3-[2-[4-(4-methoxy-4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4-one;3-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(4-methylphenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methylquinolin-8-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(2-oxo-1H-quinolin-8-yl)phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethyl]benzo[f]benzotriazol-2-ium-4,9-dione is sourced from PubChem (CID 158912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).