[(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate

C153H166N10O28 — CID 172973410

About [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate

[(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate (PubChem CID 172973410) has the molecular formula C153H166N10O28 and a molecular weight of 2593.05 g/mol. Its IUPAC name is [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate.

Molecular Properties

• Compound Name: [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate
• PubChem CID: 172973410
• Molecular Formula: C153H166N10O28
• Molecular Weight: 2593.05 g/mol
• Exact Mass: 2591.19
• IUPAC Name: [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate
• SMILES: CCCC(C)C(=O)c1ccc2c(c1)c1cc(C(=O)/C(CCCC(=O)OC)=N\OC(=O)CC)ccc1n2CC.CCCCC/C(=N/OC(C)=O)C(=O)c1ccc2c(c1)c1cc(C(=O)C3CCCCC3)ccc1n2CC.CCn1c2ccc(C(=O)/C(CCC(=O)OC)=N\OC(=O)c3ccccc3)cc2c2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc21.CCn1c2ccc(C(=O)/C(CCC(=O)OC)=N\OC(C)=O)cc2c2cc(C(=O)C(C)(C)C)ccc21.CCn1c2ccc(C(=O)/C(CCC(=O)OC)=N\OC(C)=O)cc2c2cc(C(=O)C3C=CC=C3)ccc21
• InChI: InChI=1S/C38H38N2O6.C30H36N2O6.C30H36N2O4.C28H26N2O6.C27H30N2O6/c1-3-40-32-12-9-27(35(42)31(11-14-34(41)45-2)39-46-37(44)26-7-5-4-6-8-26)18-29(32)30-19-28(10-13-33(30)40)36(43)38-20-23-15-24(21-38)17-25(16-23)22-38;1-6-10-19(4)29(35)20-13-15-25-22(17-20)23-18-21(14-16-26(23)32(25)8-3)30(36)24(31-38-27(33)7-2)11-9-12-28(34)37-5;1-4-6-8-13-26(31-36-20(3)33)30(35)23-15-17-28-25(19-23)24-18-22(14-16-27(24)32(28)5-2)29(34)21-11-9-7-10-12-21;1-4-30-24-12-9-19(27(33)18-7-5-6-8-18)15-21(24)22-16-20(10-13-25(22)30)28(34)23(29-36-17(2)31)11-14-26(32)35-3;1-7-29-22-11-8-17(25(32)21(28-35-16(2)30)10-13-24(31)34-6)14-19(22)20-15-18(9-12-23(20)29)26(33)27(3,4)5/h4-10,12-13,18-19,23-25H,3,11,14-17,20-22H2,1-2H3;13-19H,6-12H2,1-5H3;14-19,21H,4-13H2,1-3H3;5-10,12-13,15-16,18H,4,11,14H2,1-3H3;8-9,11-12,14-15H,7,10,13H2,1-6H3/b39-31-;31-24-;31-26-;29-23-;28-21-
• InChIKey: BUUYEXANBKBMMR-PYHANNJJSA-N
• XLogP: 30.98
• TPSA: 493.85 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 50
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2593.05
LogP ≤ 5	30.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate?

The IUPAC name of [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate (CID 172973410) is [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate.

What is the SMILES notation for [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate?

The canonical SMILES for [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate is CCCC(C)C(=O)c1ccc2c(c1)c1cc(C(=O)/C(CCCC(=O)OC)=N\OC(=O)CC)ccc1n2CC.CCCCC/C(=N/OC(C)=O)C(=O)c1ccc2c(c1)c1cc(C(=O)C3CCCCC3)ccc1n2CC.CCn1c2ccc(C(=O)/C(CCC(=O)OC)=N\OC(=O)c3ccccc3)cc2c2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc21.CCn1c2ccc(C(=O)/C(CCC(=O)OC)=N\OC(C)=O)cc2c2cc(C(=O)C(C)(C)C)ccc21.CCn1c2ccc(C(=O)/C(CCC(=O)OC)=N\OC(C)=O)cc2c2cc(C(=O)C3C=CC=C3)ccc21.

What is the InChIKey of [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate?

The InChIKey is BUUYEXANBKBMMR-PYHANNJJSA-N. The full InChI is InChI=1S/C38H38N2O6.C30H36N2O6.C30H36N2O4.C28H26N2O6.C27H30N2O6/c1-3-40-32-12-9-27(35(42)31(11-14-34(41)45-2)39-46-37(44)26-7-5-4-6-8-26)18-29(32)30-19-28(10-13-33(30)40)36(43)38-20-23-15-24(21-38)17-25(16-23)22-38;1-6-10-19(4)29(35)20-13-15-25-22(17-20)23-18-21(14-16-26(23)32(25)8-3)30(36)24(31-38-27(33)7-2)11-9-12-28(34)37-5;1-4-6-8-13-26(31-36-20(3)33)30(35)23-15-17-28-25(19-23)24-18-22(14-16-27(24)32(28)5-2)29(34)21-11-9-7-10-12-21;1-4-30-24-12-9-19(27(33)18-7-5-6-8-18)15-21(24)22-16-20(10-13-25(22)30)28(34)23(29-36-17(2)31)11-14-26(32)35-3;1-7-29-22-11-8-17(25(32)21(28-35-16(2)30)10-13-24(31)34-6)14-19(22)20-15-18(9-12-23(20)29)26(33)27(3,4)5/h4-10,12-13,18-19,23-25H,3,11,14-17,20-22H2,1-2H3;13-19H,6-12H2,1-5H3;14-19,21H,4-13H2,1-3H3;5-10,12-13,15-16,18H,4,11,14H2,1-3H3;8-9,11-12,14-15H,7,10,13H2,1-6H3/b39-31-;31-24-;31-26-;29-23-;28-21-.

What are the key properties of [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate?

[(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate has a molecular weight of 2593.05 g/mol, XLogP of 30.98, 50 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;[(Z)-[1-[6-(cyclohexanecarbonyl)-9-ethylcarbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;methyl (4Z)-4-acetyloxyimino-5-[6-(cyclopenta-2,4-diene-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (4Z)-4-acetyloxyimino-5-[6-(2,2-dimethylpropanoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate;methyl (5Z)-6-[9-ethyl-6-(2-methylpentanoyl)carbazol-3-yl]-6-oxo-5-propanoyloxyiminohexanoate is sourced from PubChem (CID 172973410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).