[(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate

C86H70F12N6O12S — CID 172945926

IUPAC[(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
SMILESCCOCCn1c2ccc(C(=O)c3c(F)c(F)c(F)c(F)c3F)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCOCCn1c2ccc(C(=O)c3ccccc3C(F)(F)F)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C31H24F4N2O4S.C28H25F3N2O4.C27H21F5N2O4/c1-3-37-24-12-10-19(15-22(24)23-16-20(11-13-25(23)37)29(39)27-9-6-14-42-27)28(36-41-18(2)38)21-7-4-5-8-26(21)40-17-31(34,35)30(32)33;1-4-36-14-13-33-25-11-9-19(17(2)32-37-18(3)34)15-22(25)23-16-20(10-12-26(23)33)27(35)21-7-5-6-8-24(21)28(29,30)31;1-4-37-10-9-34-19-7-5-15(13(2)33-38-14(3)35)11-17(19)18-12-16(6-8-20(18)34)27(36)21-22(28)24(30)26(32)25(31)23(21)29/h4-16,30H,3,17H2,1-2H3;5-12,15-16H,4,13-14H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3/b36-28-;32-17+;33-13+
InChIKeyDCYFSNNXFBQXCC-MKKFHGFASA-N
MW1639.58 g/mol
LogP20.11
Rot. Bonds26

About [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate

[(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate (PubChem CID 172945926) has the molecular formula C86H70F12N6O12S and a molecular weight of 1639.58 g/mol. Its IUPAC name is [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
PubChem CID172945926
Molecular FormulaC86H70F12N6O12S
Molecular Weight1639.58 g/mol
Exact Mass1638.46
IUPAC Name[(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
SMILESCCOCCn1c2ccc(C(=O)c3c(F)c(F)c(F)c(F)c3F)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCOCCn1c2ccc(C(=O)c3ccccc3C(F)(F)F)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C31H24F4N2O4S.C28H25F3N2O4.C27H21F5N2O4/c1-3-37-24-12-10-19(15-22(24)23-16-20(11-13-25(23)37)29(39)27-9-6-14-42-27)28(36-41-18(2)38)21-7-4-5-8-26(21)40-17-31(34,35)30(32)33;1-4-36-14-13-33-25-11-9-19(17(2)32-37-18(3)34)15-22(25)23-16-20(10-12-26(23)33)27(35)21-7-5-6-8-24(21)28(29,30)31;1-4-37-10-9-34-19-7-5-15(13(2)33-38-14(3)35)11-17(19)18-12-16(6-8-20(18)34)27(36)21-22(28)24(30)26(32)25(31)23(21)29/h4-16,30H,3,17H2,1-2H3;5-12,15-16H,4,13-14H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3/b36-28-;32-17+;33-13+
InChIKeyDCYFSNNXFBQXCC-MKKFHGFASA-N
XLogP20.11
TPSA209.67 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001639.58
LogP ≤ 520.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate with MolForge

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Related Compounds

[(E)-[[11-(oxolan-2-ylmethyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 87281140
[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 87281148
[(E)-[[9-ethyl-6-[2-fluoro-4-(thiolan-2-ylmethoxy)benzoyl]carbazol-3-yl]-phenylmethylidene]amino] acetate
CID 88046445
[(E)-[[6-[4-(2,3-dihydrothiophen-2-ylmethoxy)-2-fluorobenzoyl]-9-ethylcarbazol-3-yl]-phenylmethylidene]amino] acetate
CID 88046448
[(E)-[[9-ethyl-6-[4-[(2-ethyl-2,5-dimethyl-1,3-dithiolan-4-yl)methoxy]-2-fluorobenzoyl]carbazol-3-yl]-phenylmethylidene]amino] acetate
CID 88046449
[(Z)-[[11-(2-hexoxyethyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 88586920
[(Z)-[[11-(2-dodecoxyethyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 88586929
[(E)-[[9-ethyl-6-[2-fluoro-4-(thiophen-2-ylmethoxy)benzoyl]carbazol-3-yl]-phenylmethylidene]amino] acetate
CID 89322408
2-[2-[5-[(Z)-N-acetyloxy-C-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]carbonimidoyl]-20,22-dimethyl-18-oxo-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-9-yl]acetyl]oxyethyl 2-[8-[(Z)-N-acetyloxy-C-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]carbonimidoyl]-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-11-yl]acetate
CID 89627652
[(Z)-[[11-[6-[8-[(Z)-N-acetyloxy-C-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]carbonimidoyl]-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-11-yl]hexyl]-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 89627680
2-[8-[(E)-N-acetyloxy-C-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]carbonimidoyl]-5-(2-methylbenzoyl)benzo[a]carbazol-11-yl]ethyl acetate
CID 89707524
[(E)-[[11-(2-ethylhexyl)-5-(2-methylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 89707525

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate?
The IUPAC name of [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate (CID 172945926) is [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate.
What is the SMILES notation for [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate?
The canonical SMILES for [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate is CCOCCn1c2ccc(C(=O)c3c(F)c(F)c(F)c(F)c3F)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCOCCn1c2ccc(C(=O)c3ccccc3C(F)(F)F)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3OCC(F)(F)C(F)F)ccc21.
What is the InChIKey of [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate?
The InChIKey is DCYFSNNXFBQXCC-MKKFHGFASA-N. The full InChI is InChI=1S/C31H24F4N2O4S.C28H25F3N2O4.C27H21F5N2O4/c1-3-37-24-12-10-19(15-22(24)23-16-20(11-13-25(23)37)29(39)27-9-6-14-42-27)28(36-41-18(2)38)21-7-4-5-8-26(21)40-17-31(34,35)30(32)33;1-4-36-14-13-33-25-11-9-19(17(2)32-37-18(3)34)15-22(25)23-16-20(10-12-26(23)33)27(35)21-7-5-6-8-24(21)28(29,30)31;1-4-37-10-9-34-19-7-5-15(13(2)33-38-14(3)35)11-17(19)18-12-16(6-8-20(18)34)27(36)21-22(28)24(30)26(32)25(31)23(21)29/h4-16,30H,3,17H2,1-2H3;5-12,15-16H,4,13-14H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3/b36-28-;32-17+;33-13+.
What are the key properties of [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate?
[(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate has a molecular weight of 1639.58 g/mol, XLogP of 20.11, 26 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate is sourced from PubChem (CID 172945926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).