[[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate

C86H90N6O7 — CID 123301660

IUPAC[[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate
SMILESCCn1c2ccc(C(=O)c3ccc(C4CCC(CCC(=NOC(=O)c5ccccc5)c5ccc6c(c5)c5ccc(C7CCC(CCC(=NOC(C)=O)c8ccc9c(c8)c8ccccc8n9CC)CC7)cc5n6CC)CC4)cc3C)cc2c2cc(C(CCC3CCC3)=NOC(C)=O)ccc21
InChIInChI=1S/C86H90N6O7/c1-7-90-79-21-14-13-20-70(79)72-49-65(35-44-80(72)90)77(88-98-56(6)94)42-27-59-24-31-61(32-25-59)64-34-40-71-73-50-66(36-45-81(73)92(9-3)84(71)53-64)78(89-99-86(96)62-18-11-10-12-19-62)43-28-58-22-29-60(30-23-58)63-33-39-69(54(4)48-63)85(95)68-38-47-83-75(52-68)74-51-67(37-46-82(74)91(83)8-2)76(87-97-55(5)93)41-26-57-16-15-17-57/h10-14,18-21,33-40,44-53,57-61H,7-9,15-17,22-32,41-43H2,1-6H3
InChIKeyRWWPSGVMSCKHIJ-UHFFFAOYSA-N
MW1319.70 g/mol
LogP20.79
Rot. Bonds23

About [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate

[[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate (PubChem CID 123301660) has the molecular formula C86H90N6O7 and a molecular weight of 1319.70 g/mol. Its IUPAC name is [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate.

Molecular Properties

Compound Name[[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate
PubChem CID123301660
Molecular FormulaC86H90N6O7
Molecular Weight1319.70 g/mol
Exact Mass1318.69
IUPAC Name[[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate
SMILESCCn1c2ccc(C(=O)c3ccc(C4CCC(CCC(=NOC(=O)c5ccccc5)c5ccc6c(c5)c5ccc(C7CCC(CCC(=NOC(C)=O)c8ccc9c(c8)c8ccccc8n9CC)CC7)cc5n6CC)CC4)cc3C)cc2c2cc(C(CCC3CCC3)=NOC(C)=O)ccc21
InChIInChI=1S/C86H90N6O7/c1-7-90-79-21-14-13-20-70(79)72-49-65(35-44-80(72)90)77(88-98-56(6)94)42-27-59-24-31-61(32-25-59)64-34-40-71-73-50-66(36-45-81(73)92(9-3)84(71)53-64)78(89-99-86(96)62-18-11-10-12-19-62)43-28-58-22-29-60(30-23-58)63-33-39-69(54(4)48-63)85(95)68-38-47-83-75(52-68)74-51-67(37-46-82(74)91(83)8-2)76(87-97-55(5)93)41-26-57-16-15-17-57/h10-14,18-21,33-40,44-53,57-61H,7-9,15-17,22-32,41-43H2,1-6H3
InChIKeyRWWPSGVMSCKHIJ-UHFFFAOYSA-N
XLogP20.79
TPSA147.84 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001319.70
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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 [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate
CID 172921191
[(E)-[4-cyclopropyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzoate
CID 118902031
[[4-cyclopropyl-1-(9-ethylcarbazol-3-yl)-1-oxobutan-2-ylidene]amino] benzoate
CID 123139814
[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-oxopropylidene]amino] benzoate
CID 141449161
[(E)-[3-cyclobutyl-1-(9-ethyl-6-nitrocarbazol-3-yl)propylidene]amino] acetate
CID 118902012
[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 155166254
[(E)-[3-cyclohexyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] benzoate
CID 145376485
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]hex-4-ynylideneamino] acetate
CID 58122004
[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-5-phenylpent-4-ynylidene]amino] acetate
CID 58122005
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-ynylideneamino] acetate;prop-1-ene
CID 143868635
[1-(6-benzoyl-9-ethylcarbazol-3-yl)decylideneamino] acetate
CID 123957224
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442

Frequently Asked Questions

What is the IUPAC name of [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate?
The IUPAC name of [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate (CID 123301660) is [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate.
What is the SMILES notation for [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate?
The canonical SMILES for [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate is CCn1c2ccc(C(=O)c3ccc(C4CCC(CCC(=NOC(=O)c5ccccc5)c5ccc6c(c5)c5ccc(C7CCC(CCC(=NOC(C)=O)c8ccc9c(c8)c8ccccc8n9CC)CC7)cc5n6CC)CC4)cc3C)cc2c2cc(C(CCC3CCC3)=NOC(C)=O)ccc21.
What is the InChIKey of [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate?
The InChIKey is RWWPSGVMSCKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H90N6O7/c1-7-90-79-21-14-13-20-70(79)72-49-65(35-44-80(72)90)77(88-98-56(6)94)42-27-59-24-31-61(32-25-59)64-34-40-71-73-50-66(36-45-81(73)92(9-3)84(71)53-64)78(89-99-86(96)62-18-11-10-12-19-62)43-28-58-22-29-60(30-23-58)63-33-39-69(54(4)48-63)85(95)68-38-47-83-75(52-68)74-51-67(37-46-82(74)91(83)8-2)76(87-97-55(5)93)41-26-57-16-15-17-57/h10-14,18-21,33-40,44-53,57-61H,7-9,15-17,22-32,41-43H2,1-6H3.
What are the key properties of [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate?
[[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate has a molecular weight of 1319.70 g/mol, XLogP of 20.79, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate is sourced from PubChem (CID 123301660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).