[(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate

C110H91F3N8O11 — CID 172927586

IUPAC[(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(/C(C)=N/OC(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(F)(F)F)ccc21.CCn1c2ccccc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21
InChIInChI=1S/C31H26N2O3.C30H24N2O3.C26H21F3N2O3.C23H20N2O2/c1-4-33-28-16-14-23(30(32-36-21(3)34)22-11-6-5-7-12-22)18-26(28)27-19-24(15-17-29(27)33)31(35)25-13-9-8-10-20(25)2;1-3-32-27-16-14-23(20(2)31-35-30(34)22-12-8-5-9-13-22)18-25(27)26-19-24(15-17-28(26)32)29(33)21-10-6-4-7-11-21;1-4-31-22-11-9-17(16(3)30-34-25(33)26(27,28)29)13-20(22)21-14-18(10-12-23(21)31)24(32)19-8-6-5-7-15(19)2;1-3-25-21-12-8-7-11-19(21)20-15-18(13-14-22(20)25)23(24-27-16(2)26)17-9-5-4-6-10-17/h5-19H,4H2,1-3H3;4-19H,3H2,1-2H3;5-14H,4H2,1-3H3;4-15H,3H2,1-2H3/b32-30+;31-20+;30-16+;24-23+
InChIKeyYAAWQDHHUDKENC-CMMRRHOCSA-N
MW1757.98 g/mol
LogP24.61
Rot. Bonds21

About [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate

[(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate (PubChem CID 172927586) has the molecular formula C110H91F3N8O11 and a molecular weight of 1757.98 g/mol. Its IUPAC name is [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate
PubChem CID172927586
Molecular FormulaC110H91F3N8O11
Molecular Weight1757.98 g/mol
Exact Mass1756.68
IUPAC Name[(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(/C(C)=N/OC(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(F)(F)F)ccc21.CCn1c2ccccc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21
InChIInChI=1S/C31H26N2O3.C30H24N2O3.C26H21F3N2O3.C23H20N2O2/c1-4-33-28-16-14-23(30(32-36-21(3)34)22-11-6-5-7-12-22)18-26(28)27-19-24(15-17-29(27)33)31(35)25-13-9-8-10-20(25)2;1-3-32-27-16-14-23(20(2)31-35-30(34)22-12-8-5-9-13-22)18-25(27)26-19-24(15-17-28(26)32)29(33)21-10-6-4-7-11-21;1-4-31-22-11-9-17(16(3)30-34-25(33)26(27,28)29)13-20(22)21-14-18(10-12-23(21)31)24(32)19-8-6-5-7-15(19)2;1-3-25-21-12-8-7-11-19(21)20-15-18(13-14-22(20)25)23(24-27-16(2)26)17-9-5-4-6-10-17/h5-19H,4H2,1-3H3;4-19H,3H2,1-2H3;5-14H,4H2,1-3H3;4-15H,3H2,1-2H3/b32-30+;31-20+;30-16+;24-23+
InChIKeyYAAWQDHHUDKENC-CMMRRHOCSA-N
XLogP24.61
TPSA225.57 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001757.98
LogP ≤ 524.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate with MolForge

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Related Compounds

[(Z)-[[4-[6-[4-[(Z)-N-acetyloxy-C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]methylidene]amino] acetate
CID 117932068
[(E)-[[2-[6-[2-[(E)-N-acetyloxy-C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]methylidene]amino] acetate
CID 117932077
[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
CID 118109613
[[[4-[6-[4-[N-acetyloxy-C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]methylidene]amino] acetate
CID 123500880
[[2-[6-[2-[N-acetoxy-C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluoro-hexoxy]phenyl]-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]methylene]amino acetate
CID 123768304
[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
CID 124168200
[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(1,1,2,2,3,3,4,4-octafluorobutoxymethyl)phenyl]methylidene]amino] acetate
CID 137418946
[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(1,1,2,2-tetrafluoroethoxymethyl)phenyl]methylidene]amino] acetate
CID 137418947
[(E)-[1-[1-(4-benzoylphenyl)-5-[[2-[(2E)-2-[1-(4-fluorophenyl)indol-3-yl]-2-propanoyloxyiminoethyl]phenyl]methyl]indol-3-yl]-2-(2-methylphenyl)ethylidene]amino] propanoate
CID 137469241
[[1-Oxo-1-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]propan-2-ylidene]amino] benzoate
CID 144108657
[[2-[9-Ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
CID 154363050
2,2,3,3-Tetrafluoropropyl 2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxycarbonyl)benzoyl]carbazole-3-carbonyl]benzoate
CID 155429173

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate?
The IUPAC name of [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate (CID 172927586) is [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate.
What is the SMILES notation for [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate?
The canonical SMILES for [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate is CCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(/C(C)=N/OC(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(F)(F)F)ccc21.CCn1c2ccccc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21.
What is the InChIKey of [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate?
The InChIKey is YAAWQDHHUDKENC-CMMRRHOCSA-N. The full InChI is InChI=1S/C31H26N2O3.C30H24N2O3.C26H21F3N2O3.C23H20N2O2/c1-4-33-28-16-14-23(30(32-36-21(3)34)22-11-6-5-7-12-22)18-26(28)27-19-24(15-17-29(27)33)31(35)25-13-9-8-10-20(25)2;1-3-32-27-16-14-23(20(2)31-35-30(34)22-12-8-5-9-13-22)18-25(27)26-19-24(15-17-28(26)32)29(33)21-10-6-4-7-11-21;1-4-31-22-11-9-17(16(3)30-34-25(33)26(27,28)29)13-20(22)21-14-18(10-12-23(21)31)24(32)19-8-6-5-7-15(19)2;1-3-25-21-12-8-7-11-19(21)20-15-18(13-14-22(20)25)23(24-27-16(2)26)17-9-5-4-6-10-17/h5-19H,4H2,1-3H3;4-19H,3H2,1-2H3;5-14H,4H2,1-3H3;4-15H,3H2,1-2H3/b32-30+;31-20+;30-16+;24-23+.
What are the key properties of [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate?
[(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate has a molecular weight of 1757.98 g/mol, XLogP of 24.61, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate is sourced from PubChem (CID 172927586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).