[(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

C171H186N14O23S — CID 172971723

IUPAC[(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCCCC(CC)Cn1c2ccc(/C(CCCCCC/C(=N/OC(C)=O)c3ccc4c5cc([N+](=O)[O-])ccc5n(CC(CC)CCCC)c4c3)=N/OC(C)=O)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCC3CCCC3)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccsc3)cc2c2cc(/C(CCC3CCCC3)=N/OC(C)=O)ccc21
InChIInChI=1S/C52H64N6O8.C32H34N2O6.C32H34N2O3.C29H30N2O3S.C26H24N2O3/c1-7-11-17-37(9-3)33-55-49-26-22-39(29-44(49)46-32-42(58(63)64)24-28-51(46)55)47(53-65-35(5)59)19-15-13-14-16-20-48(54-66-36(6)60)40-21-25-43-45-31-41(57(61)62)23-27-50(45)56(52(43)30-40)34-38(10-4)18-12-8-2;1-7-34-29-12-8-22(20(3)33-40-21(4)35)15-27(29)28-16-23(9-13-30(28)34)31(36)26-11-10-24(14-19(26)2)37-17-25-18-38-32(5,6)39-25;1-4-34-30-17-14-24(29(33-37-22(3)35)16-13-23-10-6-7-11-23)19-27(30)28-20-25(15-18-31(28)34)32(36)26-12-8-5-9-21(26)2;1-3-31-27-12-9-21(26(30-34-19(2)32)11-8-20-6-4-5-7-20)16-24(27)25-17-22(10-13-28(25)31)29(33)23-14-15-35-18-23;1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h21-32,37-38H,7-20,33-34H2,1-6H3;8-16,25H,7,17-18H2,1-6H3;5,8-9,12,14-15,17-20,23H,4,6-7,10-11,13,16H2,1-3H3;9-10,12-18,20H,3-8,11H2,1-2H3;6-15H,5H2,1-4H3/b53-47+,54-48-;33-20+;33-29+;30-26+;27-17+
InChIKeyBKVFGXIPGRTLAR-IWUPSZBJSA-N
MW2837.51 g/mol
LogP40.47
Rot. Bonds54

About [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

[(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate (PubChem CID 172971723) has the molecular formula C171H186N14O23S and a molecular weight of 2837.51 g/mol. Its IUPAC name is [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
PubChem CID172971723
Molecular FormulaC171H186N14O23S
Molecular Weight2837.51 g/mol
Exact Mass2835.35
IUPAC Name[(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCCCC(CC)Cn1c2ccc(/C(CCCCCC/C(=N/OC(C)=O)c3ccc4c5cc([N+](=O)[O-])ccc5n(CC(CC)CCCC)c4c3)=N/OC(C)=O)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCC3CCCC3)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccsc3)cc2c2cc(/C(CCC3CCCC3)=N/OC(C)=O)ccc21
InChIInChI=1S/C52H64N6O8.C32H34N2O6.C32H34N2O3.C29H30N2O3S.C26H24N2O3/c1-7-11-17-37(9-3)33-55-49-26-22-39(29-44(49)46-32-42(58(63)64)24-28-51(46)55)47(53-65-35(5)59)19-15-13-14-16-20-48(54-66-36(6)60)40-21-25-43-45-31-41(57(61)62)23-27-50(45)56(52(43)30-40)34-38(10-4)18-12-8-2;1-7-34-29-12-8-22(20(3)33-40-21(4)35)15-27(29)28-16-23(9-13-30(28)34)31(36)26-11-10-24(14-19(26)2)37-17-25-18-38-32(5,6)39-25;1-4-34-30-17-14-24(29(33-37-22(3)35)16-13-23-10-6-7-11-23)19-27(30)28-20-25(15-18-31(28)34)32(36)26-12-8-5-9-21(26)2;1-3-31-27-12-9-21(26(30-34-19(2)32)11-8-20-6-4-5-7-20)16-24(27)25-17-22(10-13-28(25)31)29(33)23-14-15-35-18-23;1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h21-32,37-38H,7-20,33-34H2,1-6H3;8-16,25H,7,17-18H2,1-6H3;5,8-9,12,14-15,17-20,23H,4,6-7,10-11,13,16H2,1-3H3;9-10,12-18,20H,3-8,11H2,1-2H3;6-15H,5H2,1-4H3/b53-47+,54-48-;33-20+;33-29+;30-26+;27-17+
InChIKeyBKVFGXIPGRTLAR-IWUPSZBJSA-N
XLogP40.47
TPSA443.79 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002837.51
LogP ≤ 540.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate (CID 172971723) is [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate is CCCCC(CC)Cn1c2ccc(/C(CCCCCC/C(=N/OC(C)=O)c3ccc4c5cc([N+](=O)[O-])ccc5n(CC(CC)CCCC)c4c3)=N/OC(C)=O)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCC3CCCC3)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccsc3)cc2c2cc(/C(CCC3CCCC3)=N/OC(C)=O)ccc21.
What is the InChIKey of [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is BKVFGXIPGRTLAR-IWUPSZBJSA-N. The full InChI is InChI=1S/C52H64N6O8.C32H34N2O6.C32H34N2O3.C29H30N2O3S.C26H24N2O3/c1-7-11-17-37(9-3)33-55-49-26-22-39(29-44(49)46-32-42(58(63)64)24-28-51(46)55)47(53-65-35(5)59)19-15-13-14-16-20-48(54-66-36(6)60)40-21-25-43-45-31-41(57(61)62)23-27-50(45)56(52(43)30-40)34-38(10-4)18-12-8-2;1-7-34-29-12-8-22(20(3)33-40-21(4)35)15-27(29)28-16-23(9-13-30(28)34)31(36)26-11-10-24(14-19(26)2)37-17-25-18-38-32(5,6)39-25;1-4-34-30-17-14-24(29(33-37-22(3)35)16-13-23-10-6-7-11-23)19-27(30)28-20-25(15-18-31(28)34)32(36)26-12-8-5-9-21(26)2;1-3-31-27-12-9-21(26(30-34-19(2)32)11-8-20-6-4-5-7-20)16-24(27)25-17-22(10-13-28(25)31)29(33)23-14-15-35-18-23;1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h21-32,37-38H,7-20,33-34H2,1-6H3;8-16,25H,7,17-18H2,1-6H3;5,8-9,12,14-15,17-20,23H,4,6-7,10-11,13,16H2,1-3H3;9-10,12-18,20H,3-8,11H2,1-2H3;6-15H,5H2,1-4H3/b53-47+,54-48-;33-20+;33-29+;30-26+;27-17+.
What are the key properties of [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
[(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 2837.51 g/mol, XLogP of 40.47, 54 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(8Z)-8-acetyloxyimino-8-[9-(2-ethylhexyl)-6-nitrocarbazol-2-yl]-1-[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]octylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-[3-cyclopentyl-1-[9-ethyl-6-(thiophene-3-carbonyl)carbazol-3-yl]propylidene]amino] acetate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 172971723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).