[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate

C171H178F8N8O20S — CID 172971245

IUPAC[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
SMILESCCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccc(OC(C)COC)cc3C)cc2c2cc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)/C(=N\OC(C)=O)c3cccs3)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)/C(CCOC)=N\OC(C)=O)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)/C(C)=N\OC(C)=O)c3ccccc3c21
InChIInChI=1S/C49H52F4N2O6.C42H42N2O4S.C41H46N2O5.C39H38F4N2O5/c1-8-10-13-33(9-2)26-55-44-21-16-34(45(54-61-32(6)56)37-19-18-36(23-29(37)3)60-31(5)27-58-7)24-41(44)42-25-43(39-14-11-12-15-40(39)46(42)55)47(57)38-20-17-35(22-30(38)4)59-28-49(52,53)48(50)51;1-7-9-13-29(8-2)24-44-36-18-17-30(41(46)39(43-48-28(6)45)37-16-12-19-49-37)22-33(36)34-23-35(31-14-10-11-15-32(31)40(34)44)42(47)38-26(4)20-25(3)21-27(38)5;1-8-10-13-29(9-2)24-43-37-17-16-30(40(45)36(18-19-47-7)42-48-28(6)44)22-33(37)34-23-35(31-14-11-12-15-32(31)39(34)43)41(46)38-26(4)20-25(3)21-27(38)5;1-5-7-12-25(6-2)21-45-33-18-17-26(37(48)29-15-10-11-16-34(29)49-22-39(42,43)38(40)41)19-30(33)31-20-32(36(47)23(3)44-50-24(4)46)27-13-8-9-14-28(27)35(31)45/h11-12,14-25,31,33,48H,8-10,13,26-28H2,1-7H3;10-12,14-23,29H,7-9,13,24H2,1-6H3;11-12,14-17,20-23,29H,8-10,13,18-19,24H2,1-7H3;8-11,13-20,25,38H,5-7,12,21-22H2,1-4H3/b54-45+;43-39-;42-36-;44-23-
InChIKeyRXFAEOMHUIUVOF-DQLZDOMISA-N
MW2849.39 g/mol
LogP41.81
Rot. Bonds60

About [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate

[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate (PubChem CID 172971245) has the molecular formula C171H178F8N8O20S and a molecular weight of 2849.39 g/mol. Its IUPAC name is [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
PubChem CID172971245
Molecular FormulaC171H178F8N8O20S
Molecular Weight2849.39 g/mol
Exact Mass2847.28
IUPAC Name[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
SMILESCCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccc(OC(C)COC)cc3C)cc2c2cc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)/C(=N\OC(C)=O)c3cccs3)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)/C(CCOC)=N\OC(C)=O)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)/C(C)=N\OC(C)=O)c3ccccc3c21
InChIInChI=1S/C49H52F4N2O6.C42H42N2O4S.C41H46N2O5.C39H38F4N2O5/c1-8-10-13-33(9-2)26-55-44-21-16-34(45(54-61-32(6)56)37-19-18-36(23-29(37)3)60-31(5)27-58-7)24-41(44)42-25-43(39-14-11-12-15-40(39)46(42)55)47(57)38-20-17-35(22-30(38)4)59-28-49(52,53)48(50)51;1-7-9-13-29(8-2)24-44-36-18-17-30(41(46)39(43-48-28(6)45)37-16-12-19-49-37)22-33(36)34-23-35(31-14-10-11-15-32(31)40(34)44)42(47)38-26(4)20-25(3)21-27(38)5;1-8-10-13-29(9-2)24-43-37-17-16-30(40(45)36(18-19-47-7)42-48-28(6)44)22-33(37)34-23-35(31-14-11-12-15-32(31)39(34)43)41(46)38-26(4)20-25(3)21-27(38)5;1-5-7-12-25(6-2)21-45-33-18-17-26(37(48)29-15-10-11-16-34(29)49-22-39(42,43)38(40)41)19-30(33)31-20-32(36(47)23(3)44-50-24(4)46)27-13-8-9-14-28(27)35(31)45/h11-12,14-25,31,33,48H,8-10,13,26-28H2,1-7H3;10-12,14-23,29H,7-9,13,24H2,1-6H3;11-12,14-17,20-23,29H,8-10,13,18-19,24H2,1-7H3;8-11,13-20,25,38H,5-7,12,21-22H2,1-4H3/b54-45+;43-39-;42-36-;44-23-
InChIKeyRXFAEOMHUIUVOF-DQLZDOMISA-N
XLogP41.81
TPSA340.00 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds60
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002849.39
LogP ≤ 541.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate with MolForge

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Related Compounds

[(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)-[[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
[(E)-[[11-(2-ethylhexyl)-5-(thiophene-2-carbonyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 89707531
[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate
CID 89707539
[(E)-[[5-[4-[6-[4-[8-[(E)-N-acetyloxy-C-phenylcarbonimidoyl]-11-(2-ethylhexyl)benzo[a]carbazole-5-carbonyl]-3-methylphenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]-2-methylbenzoyl]-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-phenylmethylidene]amino] acetate
CID 117693119
[[[11-(2-Ethylhexyl)-5-[(2-methylphenyl)methyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 123229889
[[[5-[4-[6-[4-[8-(N-acetyloxy-C-phenylcarbonimidoyl)-11-(2-ethylhexyl)benzo[a]carbazole-5-carbonyl]-3-methylphenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]-2-methylbenzoyl]-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-phenylmethylidene]amino] acetate
CID 123759829
[[[11-(2-Ethylhexyl)-5-(2-methylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 123806523
[[[11-(2-Ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate
CID 123897751
[[[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 123985412
[[[11-(2-Ethylhexyl)-5-(thiophene-2-carbonyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 124001669
[11-(Cyclohexylmethyl)-8-[[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]benzo[a]carbazol-5-yl]-(2,4,6-trimethylphenyl)methanone;(methylideneamino) thiophene-2-carboxylate
CID 144357869

Frequently Asked Questions

What is the IUPAC name of [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
The IUPAC name of [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate (CID 172971245) is [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate.
What is the SMILES notation for [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
The canonical SMILES for [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate is CCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccc(OC(C)COC)cc3C)cc2c2cc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)/C(=N\OC(C)=O)c3cccs3)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)/C(CCOC)=N\OC(C)=O)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)/C(C)=N\OC(C)=O)c3ccccc3c21.
What is the InChIKey of [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
The InChIKey is RXFAEOMHUIUVOF-DQLZDOMISA-N. The full InChI is InChI=1S/C49H52F4N2O6.C42H42N2O4S.C41H46N2O5.C39H38F4N2O5/c1-8-10-13-33(9-2)26-55-44-21-16-34(45(54-61-32(6)56)37-19-18-36(23-29(37)3)60-31(5)27-58-7)24-41(44)42-25-43(39-14-11-12-15-40(39)46(42)55)47(57)38-20-17-35(22-30(38)4)59-28-49(52,53)48(50)51;1-7-9-13-29(8-2)24-44-36-18-17-30(41(46)39(43-48-28(6)45)37-16-12-19-49-37)22-33(36)34-23-35(31-14-10-11-15-32(31)40(34)44)42(47)38-26(4)20-25(3)21-27(38)5;1-8-10-13-29(9-2)24-43-37-17-16-30(40(45)36(18-19-47-7)42-48-28(6)44)22-33(37)34-23-35(31-14-11-12-15-32(31)39(34)43)41(46)38-26(4)20-25(3)21-27(38)5;1-5-7-12-25(6-2)21-45-33-18-17-26(37(48)29-15-10-11-16-34(29)49-22-39(42,43)38(40)41)19-30(33)31-20-32(36(47)23(3)44-50-24(4)46)27-13-8-9-14-28(27)35(31)45/h11-12,14-25,31,33,48H,8-10,13,26-28H2,1-7H3;10-12,14-23,29H,7-9,13,24H2,1-6H3;11-12,14-17,20-23,29H,8-10,13,18-19,24H2,1-7H3;8-11,13-20,25,38H,5-7,12,21-22H2,1-4H3/b54-45+;43-39-;42-36-;44-23-.
What are the key properties of [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate has a molecular weight of 2849.39 g/mol, XLogP of 41.81, 60 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-5-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-4-methoxy-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate is sourced from PubChem (CID 172971245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).