5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol

C91H113Cl2N5O11 — CID 159766881

IUPAC5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol
SMILESCCCN(CCO)c1ccc(Cc2ccc(N(CCO)CCO)cc2)cc1.O=C1Cc2cc(C(c3ccc(Cl)cc3)c3ccc(N(CCO)CCO)cc3)ccc2N1CCO.OC1CCCC(c2ccc(Cc3ccc(Cl)cc3)cc2)C1.OCCN(CCO)c1ccc(Cc2ccc(C3CCCC(O)C3)cc2)cc1
InChIInChI=1S/C27H29ClN2O4.C23H31NO3.C22H32N2O3.C19H21ClO/c28-23-6-1-19(2-7-23)27(20-3-8-24(9-4-20)29(11-14-31)12-15-32)21-5-10-25-22(17-21)18-26(34)30(25)13-16-33;25-14-12-24(13-15-26)22-10-6-19(7-11-22)16-18-4-8-20(9-5-18)21-2-1-3-23(27)17-21;1-2-11-23(12-15-25)21-7-3-19(4-8-21)18-20-5-9-22(10-6-20)24(13-16-26)14-17-27;20-18-10-6-15(7-11-18)12-14-4-8-16(9-5-14)17-2-1-3-19(21)13-17/h1-10,17,27,31-33H,11-16,18H2;4-11,21,23,25-27H,1-3,12-17H2;3-10,25-27H,2,11-18H2,1H3;4-11,17,19,21H,1-3,12-13H2
InChIKeyNFPQMKRZHBWOSZ-UHFFFAOYSA-N
MW1523.84 g/mol
LogP13.51
Rot. Bonds33

About 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol

5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol (PubChem CID 159766881) has the molecular formula C91H113Cl2N5O11 and a molecular weight of 1523.84 g/mol. Its IUPAC name is 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol
PubChem CID159766881
Molecular FormulaC91H113Cl2N5O11
Molecular Weight1523.84 g/mol
Exact Mass1521.78
IUPAC Name5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol
SMILESCCCN(CCO)c1ccc(Cc2ccc(N(CCO)CCO)cc2)cc1.O=C1Cc2cc(C(c3ccc(Cl)cc3)c3ccc(N(CCO)CCO)cc3)ccc2N1CCO.OC1CCCC(c2ccc(Cc3ccc(Cl)cc3)cc2)C1.OCCN(CCO)c1ccc(Cc2ccc(C3CCCC(O)C3)cc2)cc1
InChIInChI=1S/C27H29ClN2O4.C23H31NO3.C22H32N2O3.C19H21ClO/c28-23-6-1-19(2-7-23)27(20-3-8-24(9-4-20)29(11-14-31)12-15-32)21-5-10-25-22(17-21)18-26(34)30(25)13-16-33;25-14-12-24(13-15-26)22-10-6-19(7-11-22)16-18-4-8-20(9-5-18)21-2-1-3-23(27)17-21;1-2-11-23(12-15-25)21-7-3-19(4-8-21)18-20-5-9-22(10-6-20)24(13-16-26)14-17-27;20-18-10-6-15(7-11-18)12-14-4-8-16(9-5-14)17-2-1-3-19(21)13-17/h1-10,17,27,31-33H,11-16,18H2;4-11,21,23,25-27H,1-3,12-17H2;3-10,25-27H,2,11-18H2,1H3;4-11,17,19,21H,1-3,12-13H2
InChIKeyNFPQMKRZHBWOSZ-UHFFFAOYSA-N
XLogP13.51
TPSA235.57 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001523.84
LogP ≤ 513.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol?
The IUPAC name of 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol (CID 159766881) is 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol.
What is the SMILES notation for 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol?
The canonical SMILES for 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol is CCCN(CCO)c1ccc(Cc2ccc(N(CCO)CCO)cc2)cc1.O=C1Cc2cc(C(c3ccc(Cl)cc3)c3ccc(N(CCO)CCO)cc3)ccc2N1CCO.OC1CCCC(c2ccc(Cc3ccc(Cl)cc3)cc2)C1.OCCN(CCO)c1ccc(Cc2ccc(C3CCCC(O)C3)cc2)cc1.
What is the InChIKey of 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol?
The InChIKey is NFPQMKRZHBWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4.C23H31NO3.C22H32N2O3.C19H21ClO/c28-23-6-1-19(2-7-23)27(20-3-8-24(9-4-20)29(11-14-31)12-15-32)21-5-10-25-22(17-21)18-26(34)30(25)13-16-33;25-14-12-24(13-15-26)22-10-6-19(7-11-22)16-18-4-8-20(9-5-18)21-2-1-3-23(27)17-21;1-2-11-23(12-15-25)21-7-3-19(4-8-21)18-20-5-9-22(10-6-20)24(13-16-26)14-17-27;20-18-10-6-15(7-11-18)12-14-4-8-16(9-5-14)17-2-1-3-19(21)13-17/h1-10,17,27,31-33H,11-16,18H2;4-11,21,23,25-27H,1-3,12-17H2;3-10,25-27H,2,11-18H2,1H3;4-11,17,19,21H,1-3,12-13H2.
What are the key properties of 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol?
5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol has a molecular weight of 1523.84 g/mol, XLogP of 13.51, 33 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;3-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]phenyl]cyclohexan-1-ol;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-N-propylanilino]ethanol;3-[4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol is sourced from PubChem (CID 159766881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).