[(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

C141H124N10O18 — CID 172984038

IUPAC[(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2C.CC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)c3ccco3)ccc21
InChIInChI=1S/C31H24N2O4.C29H24N2O4.C28H26N2O4.C28H28N2O3.C25H22N2O3/c1-3-33-27-16-14-23(30(35)22-12-8-5-9-13-22)18-25(27)26-19-24(15-17-28(26)33)31(36)29(32-37-20(2)34)21-10-6-4-7-11-21;1-4-31-25-13-11-20(19(3)30-35-29(33)27-10-7-15-34-27)16-23(25)24-17-21(12-14-26(24)31)28(32)22-9-6-5-8-18(22)2;1-5-24(29-34-18(4)31)28(33)20-12-14-26-23(16-20)22-15-19(11-13-25(22)30(26)6-2)27(32)21-10-8-7-9-17(21)3;1-5-6-15-30-26-13-11-21(19(3)29-33-20(4)31)16-24(26)25-17-22(12-14-27(25)30)28(32)23-10-8-7-9-18(23)2;1-15-7-5-6-8-20(15)25(29)19-10-12-24-22(14-19)21-13-18(9-11-23(21)27(24)4)16(2)26-30-17(3)28/h4-19H,3H2,1-2H3;5-17H,4H2,1-3H3;7-16H,5-6H2,1-4H3;7-14,16-17H,5-6,15H2,1-4H3;5-14H,1-4H3/b32-29+;30-19+;29-24+;29-19+;26-16+
InChIKeyDEBBXGJFJNBDAI-JVASMYDPSA-N
MW2246.59 g/mol
LogP30.17
Rot. Bonds31

About [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

[(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate (PubChem CID 172984038) has the molecular formula C141H124N10O18 and a molecular weight of 2246.59 g/mol. Its IUPAC name is [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
PubChem CID172984038
Molecular FormulaC141H124N10O18
Molecular Weight2246.59 g/mol
Exact Mass2244.91
IUPAC Name[(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2C.CC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)c3ccco3)ccc21
InChIInChI=1S/C31H24N2O4.C29H24N2O4.C28H26N2O4.C28H28N2O3.C25H22N2O3/c1-3-33-27-16-14-23(30(35)22-12-8-5-9-13-22)18-25(27)26-19-24(15-17-28(26)33)31(36)29(32-37-20(2)34)21-10-6-4-7-11-21;1-4-31-25-13-11-20(19(3)30-35-29(33)27-10-7-15-34-27)16-23(25)24-17-21(12-14-26(24)31)28(32)22-9-6-5-8-18(22)2;1-5-24(29-34-18(4)31)28(33)20-12-14-26-23(16-20)22-15-19(11-13-25(22)30(26)6-2)27(32)21-10-8-7-9-17(21)3;1-5-6-15-30-26-13-11-21(19(3)29-33-20(4)31)16-24(26)25-17-22(12-14-27(25)30)28(32)23-10-8-7-9-18(23)2;1-15-7-5-6-8-20(15)25(29)19-10-12-24-22(14-19)21-13-18(9-11-23(21)27(24)4)16(2)26-30-17(3)28/h4-19H,3H2,1-2H3;5-17H,4H2,1-3H3;7-16H,5-6H2,1-4H3;7-14,16-17H,5-6,15H2,1-4H3;5-14H,1-4H3/b32-29+;30-19+;29-24+;29-19+;26-16+
InChIKeyDEBBXGJFJNBDAI-JVASMYDPSA-N
XLogP30.17
TPSA350.58 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.59
LogP ≤ 530.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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'}

Analyze [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate (CID 172984038) is [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate is CC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2C.CC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)c3ccco3)ccc21.
What is the InChIKey of [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is DEBBXGJFJNBDAI-JVASMYDPSA-N. The full InChI is InChI=1S/C31H24N2O4.C29H24N2O4.C28H26N2O4.C28H28N2O3.C25H22N2O3/c1-3-33-27-16-14-23(30(35)22-12-8-5-9-13-22)18-25(27)26-19-24(15-17-28(26)33)31(36)29(32-37-20(2)34)21-10-6-4-7-11-21;1-4-31-25-13-11-20(19(3)30-35-29(33)27-10-7-15-34-27)16-23(25)24-17-21(12-14-26(24)31)28(32)22-9-6-5-8-18(22)2;1-5-24(29-34-18(4)31)28(33)20-12-14-26-23(16-20)22-15-19(11-13-25(22)30(26)6-2)27(32)21-10-8-7-9-17(21)3;1-5-6-15-30-26-13-11-21(19(3)29-33-20(4)31)16-24(26)25-17-22(12-14-27(25)30)28(32)23-10-8-7-9-18(23)2;1-15-7-5-6-8-20(15)25(29)19-10-12-24-22(14-19)21-13-18(9-11-23(21)27(24)4)16(2)26-30-17(3)28/h4-19H,3H2,1-2H3;5-17H,4H2,1-3H3;7-16H,5-6H2,1-4H3;7-14,16-17H,5-6,15H2,1-4H3;5-14H,1-4H3/b32-29+;30-19+;29-24+;29-19+;26-16+.
What are the key properties of [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
[(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 2246.59 g/mol, XLogP of 30.17, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxo-1-phenylethylidene]amino] acetate;[(E)-1-[9-butyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] furan-2-carboxylate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-methyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 172984038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).