[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate

C276H245Cl3N16O32S8 — CID 172948668

IUPAC[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)/C(CC(C)Sc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CC(C)Sc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3c(C)cccc3C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(C)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C36H34N2O4S.C35H31ClN2O4S.2C35H32N2O4S.C34H29ClN2O4S.2C34H30N2O4S.C33H27ClN2O4S/c1-6-38-32-16-14-26(34(40)28-13-8-7-10-22(28)2)20-29(32)30-21-27(15-17-33(30)38)35(41)31(37-42-25(5)39)18-19-43-36-23(3)11-9-12-24(36)4;1-5-38-32-16-10-24(34(40)28-9-7-6-8-21(28)2)19-29(32)30-20-25(11-17-33(30)38)35(41)31(37-42-23(4)39)18-22(3)43-27-14-12-26(36)13-15-27;1-5-37-32-17-15-25(34(39)28-14-10-9-11-22(28)2)20-29(32)30-21-26(16-18-33(30)37)35(40)31(36-41-24(4)38)19-23(3)42-27-12-7-6-8-13-27;1-5-37-32-16-12-25(34(39)28-9-7-6-8-23(28)3)20-29(32)30-21-26(13-17-33(30)37)35(40)31(36-41-24(4)38)18-19-42-27-14-10-22(2)11-15-27;1-4-37-31-15-9-23(33(39)27-8-6-5-7-21(27)2)19-28(31)29-20-24(10-16-32(29)37)34(40)30(36-41-22(3)38)17-18-42-26-13-11-25(35)12-14-26;2*1-4-36-31-16-14-24(33(38)27-13-9-8-10-22(27)2)20-28(31)29-21-25(15-17-32(29)36)34(39)30(35-40-23(3)37)18-19-41-26-11-6-5-7-12-26;1-3-36-30-15-9-23(32(38)22-7-5-4-6-8-22)19-27(30)28-20-24(10-16-31(28)36)33(39)29(35-40-21(2)37)17-18-41-26-13-11-25(34)12-14-26/h7-17,20-21H,6,18-19H2,1-5H3;6-17,19-20,22H,5,18H2,1-4H3;6-18,20-21,23H,5,19H2,1-4H3;6-17,20-21H,5,18-19H2,1-4H3;5-16,19-20H,4,17-18H2,1-3H3;2*5-17,20-21H,4,18-19H2,1-3H3;4-16,19-20H,3,17-18H2,1-2H3/b2*37-31+;2*36-31+;36-30+;2*35-30+;35-29+
InChIKeyXFPQMKIKSAVKRX-ILFHYEQDSA-N
MW4660.97 g/mol
LogP64.46
Rot. Bonds80

About [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate

[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate (PubChem CID 172948668) has the molecular formula C276H245Cl3N16O32S8 and a molecular weight of 4660.97 g/mol. Its IUPAC name is [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate
PubChem CID172948668
Molecular FormulaC276H245Cl3N16O32S8
Molecular Weight4660.97 g/mol
Exact Mass4655.49
IUPAC Name[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)/C(CC(C)Sc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CC(C)Sc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3c(C)cccc3C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(C)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C36H34N2O4S.C35H31ClN2O4S.2C35H32N2O4S.C34H29ClN2O4S.2C34H30N2O4S.C33H27ClN2O4S/c1-6-38-32-16-14-26(34(40)28-13-8-7-10-22(28)2)20-29(32)30-21-27(15-17-33(30)38)35(41)31(37-42-25(5)39)18-19-43-36-23(3)11-9-12-24(36)4;1-5-38-32-16-10-24(34(40)28-9-7-6-8-21(28)2)19-29(32)30-20-25(11-17-33(30)38)35(41)31(37-42-23(4)39)18-22(3)43-27-14-12-26(36)13-15-27;1-5-37-32-17-15-25(34(39)28-14-10-9-11-22(28)2)20-29(32)30-21-26(16-18-33(30)37)35(40)31(36-41-24(4)38)19-23(3)42-27-12-7-6-8-13-27;1-5-37-32-16-12-25(34(39)28-9-7-6-8-23(28)3)20-29(32)30-21-26(13-17-33(30)37)35(40)31(36-41-24(4)38)18-19-42-27-14-10-22(2)11-15-27;1-4-37-31-15-9-23(33(39)27-8-6-5-7-21(27)2)19-28(31)29-20-24(10-16-32(29)37)34(40)30(36-41-22(3)38)17-18-42-26-13-11-25(35)12-14-26;2*1-4-36-31-16-14-24(33(38)27-13-9-8-10-22(27)2)20-28(31)29-21-25(15-17-32(29)36)34(39)30(35-40-23(3)37)18-19-41-26-11-6-5-7-12-26;1-3-36-30-15-9-23(32(38)22-7-5-4-6-8-22)19-27(30)28-20-24(10-16-31(28)36)33(39)29(35-40-21(2)37)17-18-41-26-13-11-25(34)12-14-26/h7-17,20-21H,6,18-19H2,1-5H3;6-17,19-20,22H,5,18H2,1-4H3;6-18,20-21,23H,5,19H2,1-4H3;6-17,20-21H,5,18-19H2,1-4H3;5-16,19-20H,4,17-18H2,1-3H3;2*5-17,20-21H,4,18-19H2,1-3H3;4-16,19-20H,3,17-18H2,1-2H3/b2*37-31+;2*36-31+;36-30+;2*35-30+;35-29+
InChIKeyXFPQMKIKSAVKRX-ILFHYEQDSA-N
XLogP64.46
TPSA621.84 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds80
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004660.97
LogP ≤ 564.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate with MolForge

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Related Compounds

[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 76562821
[[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2,2,2-trifluoroacetate
CID 76562841
[(E)-[1-[9-ethyl-6-(2-iodobenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 143968806
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate
CID 172923587
[[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzoate
CID 76562828
[(E)-[1-[9-ethyl-6-(2-iodobenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate
CID 88578249
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(E)-[4-(4-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylcyclohexa-1,5-diene-1-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate
CID 172934929
[[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] phenyl carbonate
CID 76562858
(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-(1-hydroxyethoxyimino)butan-1-one
CID 172933674
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(Z)-[3-(3-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
CID 172959785
[[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2,2-trifluoroacetate
CID 76562930
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-hydroxybutan-2-ylidene]amino] acetate
CID 138510789

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate?
The IUPAC name of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate (CID 172948668) is [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate.
What is the SMILES notation for [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate?
The canonical SMILES for [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate is CCn1c2ccc(C(=O)/C(CC(C)Sc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CC(C)Sc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3c(C)cccc3C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(C)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.
What is the InChIKey of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate?
The InChIKey is XFPQMKIKSAVKRX-ILFHYEQDSA-N. The full InChI is InChI=1S/C36H34N2O4S.C35H31ClN2O4S.2C35H32N2O4S.C34H29ClN2O4S.2C34H30N2O4S.C33H27ClN2O4S/c1-6-38-32-16-14-26(34(40)28-13-8-7-10-22(28)2)20-29(32)30-21-27(15-17-33(30)38)35(41)31(37-42-25(5)39)18-19-43-36-23(3)11-9-12-24(36)4;1-5-38-32-16-10-24(34(40)28-9-7-6-8-21(28)2)19-29(32)30-20-25(11-17-33(30)38)35(41)31(37-42-23(4)39)18-22(3)43-27-14-12-26(36)13-15-27;1-5-37-32-17-15-25(34(39)28-14-10-9-11-22(28)2)20-29(32)30-21-26(16-18-33(30)37)35(40)31(36-41-24(4)38)19-23(3)42-27-12-7-6-8-13-27;1-5-37-32-16-12-25(34(39)28-9-7-6-8-23(28)3)20-29(32)30-21-26(13-17-33(30)37)35(40)31(36-41-24(4)38)18-19-42-27-14-10-22(2)11-15-27;1-4-37-31-15-9-23(33(39)27-8-6-5-7-21(27)2)19-28(31)29-20-24(10-16-32(29)37)34(40)30(36-41-22(3)38)17-18-42-26-13-11-25(35)12-14-26;2*1-4-36-31-16-14-24(33(38)27-13-9-8-10-22(27)2)20-28(31)29-21-25(15-17-32(29)36)34(39)30(35-40-23(3)37)18-19-41-26-11-6-5-7-12-26;1-3-36-30-15-9-23(32(38)22-7-5-4-6-8-22)19-27(30)28-20-24(10-16-31(28)36)33(39)29(35-40-21(2)37)17-18-41-26-13-11-25(34)12-14-26/h7-17,20-21H,6,18-19H2,1-5H3;6-17,19-20,22H,5,18H2,1-4H3;6-18,20-21,23H,5,19H2,1-4H3;6-17,20-21H,5,18-19H2,1-4H3;5-16,19-20H,4,17-18H2,1-3H3;2*5-17,20-21H,4,18-19H2,1-3H3;4-16,19-20H,3,17-18H2,1-2H3/b2*37-31+;2*36-31+;36-30+;2*35-30+;35-29+.
What are the key properties of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate?
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate has a molecular weight of 4660.97 g/mol, XLogP of 64.46, 80 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate is sourced from PubChem (CID 172948668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).