[(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate

C43H32N4O6S2 — CID 144771779

IUPAC[(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate
SMILESCC(=O)O/N=C(/CCC/C(=N/OC(C)=O)c1ccc2[nH]c3ccc(C(=O)c4cccs4)cc3c2c1)c1ccc2[nH]c3ccc(C(=O)c4cccs4)cc3c2c1
InChIInChI=1S/C43H32N4O6S2/c1-24(48)52-46-34(26-10-14-36-30(20-26)32-22-28(12-16-38(32)44-36)42(50)40-8-4-18-54-40)6-3-7-35(47-53-25(2)49)27-11-15-37-31(21-27)33-23-29(13-17-39(33)45-37)43(51)41-9-5-19-55-41/h4-5,8-23,44-45H,3,6-7H2,1-2H3/b46-34-,47-35-
InChIKeyLMIQLZVQGXRAOX-RWSDAUNPSA-N
MW764.89 g/mol
LogP9.95
Rot. Bonds12

About [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate

[(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate (PubChem CID 144771779) has the molecular formula C43H32N4O6S2 and a molecular weight of 764.89 g/mol. Its IUPAC name is [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate
PubChem CID144771779
Molecular FormulaC43H32N4O6S2
Molecular Weight764.89 g/mol
Exact Mass764.18
IUPAC Name[(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate
SMILESCC(=O)O/N=C(/CCC/C(=N/OC(C)=O)c1ccc2[nH]c3ccc(C(=O)c4cccs4)cc3c2c1)c1ccc2[nH]c3ccc(C(=O)c4cccs4)cc3c2c1
InChIInChI=1S/C43H32N4O6S2/c1-24(48)52-46-34(26-10-14-36-30(20-26)32-22-28(12-16-38(32)44-36)42(50)40-8-4-18-54-40)6-3-7-35(47-53-25(2)49)27-11-15-37-31(21-27)33-23-29(13-17-39(33)45-37)43(51)41-9-5-19-55-41/h4-5,8-23,44-45H,3,6-7H2,1-2H3/b46-34-,47-35-
InChIKeyLMIQLZVQGXRAOX-RWSDAUNPSA-N
XLogP9.95
TPSA143.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 59.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

[(E)-1-[4-[3-[(Z)-N-acetyloxy-C-[(9Z)-9-acetyloxyimino-9-[9-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]-6-(thiophene-2-carbonyl)carbazol-3-yl]nonyl]carbonimidoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 59271180
[(E)-[(5E)-5-acetyloxyimino-1-[9-ethyl-6-[hydroxy(thiophen-2-yl)methyl]carbazol-3-yl]-5-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]pentylidene]amino] acetate
CID 166654186
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
[(E)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate
CID 59500062
[1-[4-[3-[(E)-C-[2-[acetyl(acetyloxy)amino]propyl]-N-acetyloxycarbonimidoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 59349774
[(Z)-1-[4-[3-[3-[acetyl(acetyloxy)amino]propanoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 172985608
[(E)-1-[3-[4-[(Z)-N-acetyloxy-C-thiophen-2-ylcarbonimidoyl]phenyl]benzo[e]indol-1-yl]heptylideneamino] acetate
CID 145280224
[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate
CID 172920003
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] thiophene-2-carboxylate
CID 156846309
[6-[C-(chloromethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-thiophen-2-ylmethanone
CID 142711765
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
[9-(2-hydroxyethyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 156761518

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate?
The IUPAC name of [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate (CID 144771779) is [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate.
What is the SMILES notation for [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate?
The canonical SMILES for [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate is CC(=O)O/N=C(/CCC/C(=N/OC(C)=O)c1ccc2[nH]c3ccc(C(=O)c4cccs4)cc3c2c1)c1ccc2[nH]c3ccc(C(=O)c4cccs4)cc3c2c1.
What is the InChIKey of [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate?
The InChIKey is LMIQLZVQGXRAOX-RWSDAUNPSA-N. The full InChI is InChI=1S/C43H32N4O6S2/c1-24(48)52-46-34(26-10-14-36-30(20-26)32-22-28(12-16-38(32)44-36)42(50)40-8-4-18-54-40)6-3-7-35(47-53-25(2)49)27-11-15-37-31(21-27)33-23-29(13-17-39(33)45-37)43(51)41-9-5-19-55-41/h4-5,8-23,44-45H,3,6-7H2,1-2H3/b46-34-,47-35-.
What are the key properties of [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate?
[(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate has a molecular weight of 764.89 g/mol, XLogP of 9.95, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(5Z)-5-acetyloxyimino-1,5-bis[6-(thiophene-2-carbonyl)-9H-carbazol-3-yl]pentylidene]amino] acetate is sourced from PubChem (CID 144771779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).