tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate

C125H132N6O10 — CID 159211737

IUPACtert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate
SMILESCOC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2[nH]ccc2c1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C34H38N2O2.C32H36N2O2.C32H33NO4.C27H25NO2/c1-26-11-13-28(14-12-26)34(31(16-18-33(37)38-2)27-9-5-3-6-10-27)30-15-17-32-29(25-30)19-22-36(32)24-23-35-20-7-4-8-21-35;35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33;1-22-11-13-24(14-12-22)30(27(16-18-29(34)36-5)23-9-7-6-8-10-23)26-15-17-28-25(21-26)19-20-33(28)31(35)37-32(2,3)4;1-19-8-10-21(11-9-19)27(23-12-14-25-22(18-23)16-17-28-25)24(13-15-26(29)30-2)20-6-4-3-5-7-20/h3,5-6,9-15,17,19,22,25H,4,7-8,16,18,20-21,23-24H2,1-2H3;1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2;6-15,17,19-21H,16,18H2,1-5H3;3-12,14,16-18,28H,13,15H2,1-2H3/b34-31-;32-30-;30-27-;27-24-
InChIKeyKQOPNEITRLKXOP-NHDNWDLDSA-N
MW1878.46 g/mol
LogP27.95
Rot. Bonds30

About tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate

tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate (PubChem CID 159211737) has the molecular formula C125H132N6O10 and a molecular weight of 1878.46 g/mol. Its IUPAC name is tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate.

Molecular Properties

Compound Nametert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate
PubChem CID159211737
Molecular FormulaC125H132N6O10
Molecular Weight1878.46 g/mol
Exact Mass1877.00
IUPAC Nametert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate
SMILESCOC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2[nH]ccc2c1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C34H38N2O2.C32H36N2O2.C32H33NO4.C27H25NO2/c1-26-11-13-28(14-12-26)34(31(16-18-33(37)38-2)27-9-5-3-6-10-27)30-15-17-32-29(25-30)19-22-36(32)24-23-35-20-7-4-8-21-35;35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33;1-22-11-13-24(14-12-22)30(27(16-18-29(34)36-5)23-9-7-6-8-10-23)26-15-17-28-25(21-26)19-20-33(28)31(35)37-32(2,3)4;1-19-8-10-21(11-9-19)27(23-12-14-25-22(18-23)16-17-28-25)24(13-15-26(29)30-2)20-6-4-3-5-7-20/h3,5-6,9-15,17,19,22,25H,4,7-8,16,18,20-21,23-24H2,1-2H3;1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2;6-15,17,19-21H,16,18H2,1-5H3;3-12,14,16-18,28H,13,15H2,1-2H3/b34-31-;32-30-;30-27-;27-24-
InChIKeyKQOPNEITRLKXOP-NHDNWDLDSA-N
XLogP27.95
TPSA182.72 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001878.46
LogP ≤ 527.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate with MolForge

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Related Compounds

tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;methane;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate
CID 158441331
4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate
CID 158843272
4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol
CID 138493046
4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride
CID 162672342
4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-5-yl]pent-1-enyl]phenol;dihydrochloride
CID 162669763
tert-butyl (3aS)-2-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 138493153
tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
tert-butyl 5-(benzylcarbamoyl)indole-1-carboxylate
CID 164888188
tert-butyl 5-(sulfanylcarbamoyl)indole-1-carboxylate
CID 91479013
methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate
CID 158843273
4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493073
5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol
CID 176732330

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate?
The IUPAC name of tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate (CID 159211737) is tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate.
What is the SMILES notation for tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate?
The canonical SMILES for tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate is COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2[nH]ccc2c1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1.
What is the InChIKey of tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate?
The InChIKey is KQOPNEITRLKXOP-NHDNWDLDSA-N. The full InChI is InChI=1S/C34H38N2O2.C32H36N2O2.C32H33NO4.C27H25NO2/c1-26-11-13-28(14-12-26)34(31(16-18-33(37)38-2)27-9-5-3-6-10-27)30-15-17-32-29(25-30)19-22-36(32)24-23-35-20-7-4-8-21-35;35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33;1-22-11-13-24(14-12-22)30(27(16-18-29(34)36-5)23-9-7-6-8-10-23)26-15-17-28-25(21-26)19-20-33(28)31(35)37-32(2,3)4;1-19-8-10-21(11-9-19)27(23-12-14-25-22(18-23)16-17-28-25)24(13-15-26(29)30-2)20-6-4-3-5-7-20/h3,5-6,9-15,17,19,22,25H,4,7-8,16,18,20-21,23-24H2,1-2H3;1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2;6-15,17,19-21H,16,18H2,1-5H3;3-12,14,16-18,28H,13,15H2,1-2H3/b34-31-;32-30-;30-27-;27-24-.
What are the key properties of tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate?
tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate has a molecular weight of 1878.46 g/mol, XLogP of 27.95, 30 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-4-enoate is sourced from PubChem (CID 159211737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).