[(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate

C160H169N9O16S3 — CID 172944842

IUPAC[(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O/N=C(\CC1CC1)c1ccc(Sc2ccccc2)cc1.CCn1c2ccc(C(=O)c3ccco3)cc2c2cc(/C(CCCC3CCCC3)=N/OC(=O)C3CC3)ccc21.CCn1c2ccc(C(=O)c3ccco3)cc2c2cc(/C(CCCC3CCCC3)=N/OC(=O)c3ccc(C)cc3)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(CC3CC3)=N/OC(=O)C3CCCCC3)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(CCC3CCCCCC3)=N/OC(=O)c3ccccc3)ccc21
InChIInChI=1S/C36H36N2O4.C36H36N2O3S.C32H34N2O4.C31H32N2O3S.C25H31NO2S/c1-3-38-32-19-17-27(22-29(32)30-23-28(18-20-33(30)38)35(39)34-12-7-21-41-34)31(11-6-10-25-8-4-5-9-25)37-42-36(40)26-15-13-24(2)14-16-26;1-2-38-32-20-17-27(23-29(32)30-24-28(18-21-33(30)38)35(39)34-15-10-22-42-34)31(19-16-25-11-6-3-4-7-12-25)37-41-36(40)26-13-8-5-9-14-26;1-2-34-28-16-14-23(27(33-38-32(36)22-12-13-22)10-5-9-21-7-3-4-8-21)19-25(28)26-20-24(15-17-29(26)34)31(35)30-11-6-18-37-30;1-2-33-27-14-12-22(26(17-20-10-11-20)32-36-31(35)21-7-4-3-5-8-21)18-24(27)25-19-23(13-15-28(25)33)30(34)29-9-6-16-37-29;1-3-5-9-20(4-2)25(27)28-26-24(18-19-12-13-19)21-14-16-23(17-15-21)29-22-10-7-6-8-11-22/h7,12-23,25H,3-6,8-11H2,1-2H3;5,8-10,13-15,17-18,20-25H,2-4,6-7,11-12,16,19H2,1H3;6,11,14-22H,2-5,7-10,12-13H2,1H3;6,9,12-16,18-21H,2-5,7-8,10-11,17H2,1H3;6-8,10-11,14-17,19-20H,3-5,9,12-13,18H2,1-2H3/b2*37-31+;33-27+;32-26+;26-24+
InChIKeyACDUTOFXGSJING-WQFYYIOZSA-N
MW2570.36 g/mol
LogP40.78
Rot. Bonds48

About [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate

[(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate (PubChem CID 172944842) has the molecular formula C160H169N9O16S3 and a molecular weight of 2570.36 g/mol. Its IUPAC name is [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate.

Molecular Properties

Compound Name[(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate
PubChem CID172944842
Molecular FormulaC160H169N9O16S3
Molecular Weight2570.36 g/mol
Exact Mass2568.18
IUPAC Name[(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O/N=C(\CC1CC1)c1ccc(Sc2ccccc2)cc1.CCn1c2ccc(C(=O)c3ccco3)cc2c2cc(/C(CCCC3CCCC3)=N/OC(=O)C3CC3)ccc21.CCn1c2ccc(C(=O)c3ccco3)cc2c2cc(/C(CCCC3CCCC3)=N/OC(=O)c3ccc(C)cc3)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(CC3CC3)=N/OC(=O)C3CCCCC3)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(CCC3CCCCCC3)=N/OC(=O)c3ccccc3)ccc21
InChIInChI=1S/C36H36N2O4.C36H36N2O3S.C32H34N2O4.C31H32N2O3S.C25H31NO2S/c1-3-38-32-19-17-27(22-29(32)30-23-28(18-20-33(30)38)35(39)34-12-7-21-41-34)31(11-6-10-25-8-4-5-9-25)37-42-36(40)26-15-13-24(2)14-16-26;1-2-38-32-20-17-27(23-29(32)30-24-28(18-21-33(30)38)35(39)34-15-10-22-42-34)31(19-16-25-11-6-3-4-7-12-25)37-41-36(40)26-13-8-5-9-14-26;1-2-34-28-16-14-23(27(33-38-32(36)22-12-13-22)10-5-9-21-7-3-4-8-21)19-25(28)26-20-24(15-17-29(26)34)31(35)30-11-6-18-37-30;1-2-33-27-14-12-22(26(17-20-10-11-20)32-36-31(35)21-7-4-3-5-8-21)18-24(27)25-19-23(13-15-28(25)33)30(34)29-9-6-16-37-29;1-3-5-9-20(4-2)25(27)28-26-24(18-19-12-13-19)21-14-16-23(17-15-21)29-22-10-7-6-8-11-22/h7,12-23,25H,3-6,8-11H2,1-2H3;5,8-10,13-15,17-18,20-25H,2-4,6-7,11-12,16,19H2,1H3;6,11,14-22H,2-5,7-10,12-13H2,1H3;6,9,12-16,18-21H,2-5,7-8,10-11,17H2,1H3;6-8,10-11,14-17,19-20H,3-5,9,12-13,18H2,1-2H3/b2*37-31+;33-27+;32-26+;26-24+
InChIKeyACDUTOFXGSJING-WQFYYIOZSA-N
XLogP40.78
TPSA307.58 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds48
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002570.36
LogP ≤ 540.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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 [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate?
The IUPAC name of [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate (CID 172944842) is [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate.
What is the SMILES notation for [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate?
The canonical SMILES for [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate is CCCCC(CC)C(=O)O/N=C(\CC1CC1)c1ccc(Sc2ccccc2)cc1.CCn1c2ccc(C(=O)c3ccco3)cc2c2cc(/C(CCCC3CCCC3)=N/OC(=O)C3CC3)ccc21.CCn1c2ccc(C(=O)c3ccco3)cc2c2cc(/C(CCCC3CCCC3)=N/OC(=O)c3ccc(C)cc3)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(CC3CC3)=N/OC(=O)C3CCCCC3)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(CCC3CCCCCC3)=N/OC(=O)c3ccccc3)ccc21.
What is the InChIKey of [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate?
The InChIKey is ACDUTOFXGSJING-WQFYYIOZSA-N. The full InChI is InChI=1S/C36H36N2O4.C36H36N2O3S.C32H34N2O4.C31H32N2O3S.C25H31NO2S/c1-3-38-32-19-17-27(22-29(32)30-23-28(18-20-33(30)38)35(39)34-12-7-21-41-34)31(11-6-10-25-8-4-5-9-25)37-42-36(40)26-15-13-24(2)14-16-26;1-2-38-32-20-17-27(23-29(32)30-24-28(18-21-33(30)38)35(39)34-15-10-22-42-34)31(19-16-25-11-6-3-4-7-12-25)37-41-36(40)26-13-8-5-9-14-26;1-2-34-28-16-14-23(27(33-38-32(36)22-12-13-22)10-5-9-21-7-3-4-8-21)19-25(28)26-20-24(15-17-29(26)34)31(35)30-11-6-18-37-30;1-2-33-27-14-12-22(26(17-20-10-11-20)32-36-31(35)21-7-4-3-5-8-21)18-24(27)25-19-23(13-15-28(25)33)30(34)29-9-6-16-37-29;1-3-5-9-20(4-2)25(27)28-26-24(18-19-12-13-19)21-14-16-23(17-15-21)29-22-10-7-6-8-11-22/h7,12-23,25H,3-6,8-11H2,1-2H3;5,8-10,13-15,17-18,20-25H,2-4,6-7,11-12,16,19H2,1H3;6,11,14-22H,2-5,7-10,12-13H2,1H3;6,9,12-16,18-21H,2-5,7-8,10-11,17H2,1H3;6-8,10-11,14-17,19-20H,3-5,9,12-13,18H2,1-2H3/b2*37-31+;33-27+;32-26+;26-24+.
What are the key properties of [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate?
[(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate has a molecular weight of 2570.36 g/mol, XLogP of 40.78, 48 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[3-cycloheptyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]propylidene]amino] benzoate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] cyclopropanecarboxylate;[(E)-[4-cyclopentyl-1-[9-ethyl-6-(furan-2-carbonyl)carbazol-3-yl]butylidene]amino] 4-methylbenzoate;[(E)-[2-cyclopropyl-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylidene]amino] cyclohexanecarboxylate;[(E)-[2-cyclopropyl-1-(4-phenylsulfanylphenyl)ethylidene]amino] 2-ethylhexanoate is sourced from PubChem (CID 172944842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).