4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline

C229H290N10O56S4 — CID 162039842

IUPAC4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3c4c(c(OC(=O)C5CCC(C(=O)Oc6ccc(OCOC(=O)C=C)cc6)CC5)c5ccccc35)SC(=C3C(=O)c5ccccc5C3=O)S4)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c4nc(N)sc34)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c4nc(N)sc34)CC2)cc1.N#Cc1ccc(N)cc1.Nc1ccc([N+](=O)[O-])cc1.[H]/N=C/c1cc(CCOC(=O)c2ccc(OCOC(=O)C=C)cc2)ccc1OC(=O)c1ccc(OCOC(=O)C=C)cc1.[H]N=C1C2C=CC=CC2C2C=CC=CC12
InChIInChI=1S/C58H50O16S2.2C45H46N2O14S.C31H27NO10.C13H13N.C7H6N2.C6H6N2O2.24CH4/c1-3-46(59)70-31-68-37-21-25-39(26-22-37)72-55(64)34-15-13-33(14-16-34)54(63)67-30-29-45-41-9-5-8-12-44(41)51(53-52(45)75-58(76-53)48-49(61)42-10-6-7-11-43(42)50(48)62)74-57(66)36-19-17-35(18-20-36)56(65)73-40-27-23-38(24-28-40)69-32-71-47(60)4-2;2*1-3-37(48)57-25-55-32-14-18-34(19-15-32)59-42(51)29-7-5-28(6-8-29)41(50)54-24-23-27-13-22-36(39-40(27)62-45(46)47-39)61-44(53)31-11-9-30(10-12-31)43(52)60-35-20-16-33(17-21-35)56-26-58-38(49)4-2;1-3-28(33)40-19-38-25-10-6-22(7-11-25)30(35)37-16-15-21-5-14-27(24(17-21)18-32)42-31(36)23-8-12-26(13-9-23)39-20-41-29(34)4-2;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;8-5-6-1-3-7(9)4-2-6;7-5-1-3-6(4-2-5)8(9)10;;;;;;;;;;;;;;;;;;;;;;;;/h3-12,21-28,33-36H,1-2,13-20,29-32H2;2*3-4,13-22,28-31H,1-2,5-12,23-26H2,(H2,46,47);3-14,17-18,32H,1-2,15-16,19-20H2;1-12,14H;1-4H,9H2;1-4H,7H2;24*1H4/b;;;32-18+;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyYXCYDQKOWUCUMC-TXALNUDQSA-N
MW4207.12 g/mol
LogP48.68
Rot. Bonds70

About 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline

4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline (PubChem CID 162039842) has the molecular formula C229H290N10O56S4 and a molecular weight of 4207.12 g/mol. Its IUPAC name is 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline.

Molecular Properties

Compound Name4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline
PubChem CID162039842
Molecular FormulaC229H290N10O56S4
Molecular Weight4207.12 g/mol
Exact Mass4203.90
IUPAC Name4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3c4c(c(OC(=O)C5CCC(C(=O)Oc6ccc(OCOC(=O)C=C)cc6)CC5)c5ccccc35)SC(=C3C(=O)c5ccccc5C3=O)S4)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c4nc(N)sc34)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c4nc(N)sc34)CC2)cc1.N#Cc1ccc(N)cc1.Nc1ccc([N+](=O)[O-])cc1.[H]/N=C/c1cc(CCOC(=O)c2ccc(OCOC(=O)C=C)cc2)ccc1OC(=O)c1ccc(OCOC(=O)C=C)cc1.[H]N=C1C2C=CC=CC2C2C=CC=CC12
InChIInChI=1S/C58H50O16S2.2C45H46N2O14S.C31H27NO10.C13H13N.C7H6N2.C6H6N2O2.24CH4/c1-3-46(59)70-31-68-37-21-25-39(26-22-37)72-55(64)34-15-13-33(14-16-34)54(63)67-30-29-45-41-9-5-8-12-44(41)51(53-52(45)75-58(76-53)48-49(61)42-10-6-7-11-43(42)50(48)62)74-57(66)36-19-17-35(18-20-36)56(65)73-40-27-23-38(24-28-40)69-32-71-47(60)4-2;2*1-3-37(48)57-25-55-32-14-18-34(19-15-32)59-42(51)29-7-5-28(6-8-29)41(50)54-24-23-27-13-22-36(39-40(27)62-45(46)47-39)61-44(53)31-11-9-30(10-12-31)43(52)60-35-20-16-33(17-21-35)56-26-58-38(49)4-2;1-3-28(33)40-19-38-25-10-6-22(7-11-25)30(35)37-16-15-21-5-14-27(24(17-21)18-32)42-31(36)23-8-12-26(13-9-23)39-20-41-29(34)4-2;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;8-5-6-1-3-7(9)4-2-6;7-5-1-3-6(4-2-5)8(9)10;;;;;;;;;;;;;;;;;;;;;;;;/h3-12,21-28,33-36H,1-2,13-20,29-32H2;2*3-4,13-22,28-31H,1-2,5-12,23-26H2,(H2,46,47);3-14,17-18,32H,1-2,15-16,19-20H2;1-12,14H;1-4H,9H2;1-4H,7H2;24*1H4/b;;;32-18+;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyYXCYDQKOWUCUMC-TXALNUDQSA-N
XLogP48.68
TPSA931.07 Ų
H-Bond Donors6
H-Bond Acceptors69
Rotatable Bonds70
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004207.12
LogP ≤ 548.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1069

Analyze 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 172918170
[2-[(E)-(9,9a-dihydro-4aH-fluoren-9-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;1-O-[2-[2-[(4-cyanophenyl)diazenyl]-4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-2-[(4-nitrophenyl)diazenyl]-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane
CID 172972541
1-O-[2-[2-(4-cyanophenyl)-4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-dioxoinden-2-yl)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl] 1-O-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;methane
CID 172986512
4-O-(4-hydroxyphenyl) 1-O-[2-[2-(4-nitrophenyl)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] cyclohexane-1,4-dicarboxylate
CID 122419870
[2-(4-cyanophenyl)-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-1,3-benzothiazol-4-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[2-[(E)-2-(4-methylphenyl)ethenyl]-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-1,3-benzothiazol-4-yl] 4-(prop-2-enoyloxymethoxy)benzoate;4-O-[2-(4-nitrophenyl)-7-[4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-[4-(prop-2-enoyloxymethoxycarbonyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 172952126
[2-(4-cyanophenyl)-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-1,3-benzothiazol-4-yl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;4-O-[7-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-4-yl] 1-O-[4-(oxiran-2-ylmethoxymethoxycarbonyl)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate
CID 172928815
1-O-[2-[2-amino-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 126501618
[3-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;1-O-[2-[2-(4-cyanophenyl)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane
CID 172973238
2-[3-[(E)-(4a,4b,8a,9a-tetrahydrofluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane
CID 172928930
1-O-[2-[2-[(4-nitrophenyl)diazenyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 126501602
4-O-[4-hydroxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl] 1-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 134170099
[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;4-O-[2-(4-nitrophenyl)-7-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 172924141

Frequently Asked Questions

What is the IUPAC name of 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline?
The IUPAC name of 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline (CID 162039842) is 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline.
What is the SMILES notation for 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline?
The canonical SMILES for 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3c4c(c(OC(=O)C5CCC(C(=O)Oc6ccc(OCOC(=O)C=C)cc6)CC5)c5ccccc35)SC(=C3C(=O)c5ccccc5C3=O)S4)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c4nc(N)sc34)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c4nc(N)sc34)CC2)cc1.N#Cc1ccc(N)cc1.Nc1ccc([N+](=O)[O-])cc1.[H]/N=C/c1cc(CCOC(=O)c2ccc(OCOC(=O)C=C)cc2)ccc1OC(=O)c1ccc(OCOC(=O)C=C)cc1.[H]N=C1C2C=CC=CC2C2C=CC=CC12.
What is the InChIKey of 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline?
The InChIKey is YXCYDQKOWUCUMC-TXALNUDQSA-N. The full InChI is InChI=1S/C58H50O16S2.2C45H46N2O14S.C31H27NO10.C13H13N.C7H6N2.C6H6N2O2.24CH4/c1-3-46(59)70-31-68-37-21-25-39(26-22-37)72-55(64)34-15-13-33(14-16-34)54(63)67-30-29-45-41-9-5-8-12-44(41)51(53-52(45)75-58(76-53)48-49(61)42-10-6-7-11-43(42)50(48)62)74-57(66)36-19-17-35(18-20-36)56(65)73-40-27-23-38(24-28-40)69-32-71-47(60)4-2;2*1-3-37(48)57-25-55-32-14-18-34(19-15-32)59-42(51)29-7-5-28(6-8-29)41(50)54-24-23-27-13-22-36(39-40(27)62-45(46)47-39)61-44(53)31-11-9-30(10-12-31)43(52)60-35-20-16-33(17-21-35)56-26-58-38(49)4-2;1-3-28(33)40-19-38-25-10-6-22(7-11-25)30(35)37-16-15-21-5-14-27(24(17-21)18-32)42-31(36)23-8-12-26(13-9-23)39-20-41-29(34)4-2;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;8-5-6-1-3-7(9)4-2-6;7-5-1-3-6(4-2-5)8(9)10;;;;;;;;;;;;;;;;;;;;;;;;/h3-12,21-28,33-36H,1-2,13-20,29-32H2;2*3-4,13-22,28-31H,1-2,5-12,23-26H2,(H2,46,47);3-14,17-18,32H,1-2,15-16,19-20H2;1-12,14H;1-4H,9H2;1-4H,7H2;24*1H4/b;;;32-18+;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline?
4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline has a molecular weight of 4207.12 g/mol, XLogP of 48.68, 70 rotatable bonds, 6 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline is sourced from PubChem (CID 162039842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).