3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one

C124H172N12O13 — CID 162103252

IUPAC3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)N(CCN3CCOCC3)c3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCNCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCNCC3)C(=O)Nc3ccccc32)c1.CCN(CCO)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCN2CCOCC2)C(=O)N(CCN(C)C)c2ccccc21
InChIInChI=1S/C44H64N4O5.C40H55N5O3.C40H53N3O5/c1-10-46(21-26-49)24-29-52-39-17-15-33(42(2,3)4)31-36(39)44(35-13-11-12-14-38(35)48(41(44)50)20-19-45(8)9)37-32-34(43(5,6)7)16-18-40(37)53-30-25-47-22-27-51-28-23-47;1-38(2,3)29-11-13-35(47-25-23-44-19-15-41-16-20-44)32(27-29)40(31-9-7-8-10-34(31)43-37(40)46)33-28-30(39(4,5)6)12-14-36(33)48-26-24-45-21-17-42-18-22-45;1-38(2,3)29-11-13-35(44)32(27-29)40(31-9-7-8-10-34(31)43(37(40)45)16-15-41-17-22-46-23-18-41)33-28-30(39(4,5)6)12-14-36(33)48-26-21-42-19-24-47-25-20-42/h11-18,31-32,49H,10,19-30H2,1-9H3;7-14,27-28,41-42H,15-26H2,1-6H3,(H,43,46);7-14,27-28,44H,15-26H2,1-6H3
InChIKeyZFDYAZCIZYYXGS-UHFFFAOYSA-N
MW2038.81 g/mol
LogP16.78
Rot. Bonds35

About 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one

3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one (PubChem CID 162103252) has the molecular formula C124H172N12O13 and a molecular weight of 2038.81 g/mol. Its IUPAC name is 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one
PubChem CID162103252
Molecular FormulaC124H172N12O13
Molecular Weight2038.81 g/mol
Exact Mass2037.32
IUPAC Name3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)N(CCN3CCOCC3)c3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCNCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCNCC3)C(=O)Nc3ccccc32)c1.CCN(CCO)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCN2CCOCC2)C(=O)N(CCN(C)C)c2ccccc21
InChIInChI=1S/C44H64N4O5.C40H55N5O3.C40H53N3O5/c1-10-46(21-26-49)24-29-52-39-17-15-33(42(2,3)4)31-36(39)44(35-13-11-12-14-38(35)48(41(44)50)20-19-45(8)9)37-32-34(43(5,6)7)16-18-40(37)53-30-25-47-22-27-51-28-23-47;1-38(2,3)29-11-13-35(47-25-23-44-19-15-41-16-20-44)32(27-29)40(31-9-7-8-10-34(31)43-37(40)46)33-28-30(39(4,5)6)12-14-36(33)48-26-24-45-21-17-42-18-22-45;1-38(2,3)29-11-13-35(44)32(27-29)40(31-9-7-8-10-34(31)43(37(40)45)16-15-41-17-22-46-23-18-41)33-28-30(39(4,5)6)12-14-36(33)48-26-21-42-19-24-47-25-20-42/h11-18,31-32,49H,10,19-30H2,1-9H3;7-14,27-28,41-42H,15-26H2,1-6H3,(H,43,46);7-14,27-28,44H,15-26H2,1-6H3
InChIKeyZFDYAZCIZYYXGS-UHFFFAOYSA-N
XLogP16.78
TPSA230.76 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds35
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002038.81
LogP ≤ 516.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one with MolForge

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Related Compounds

3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one
CID 90089268
3,3-Bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one
CID 90089279
3-[5-Tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-(5-tert-butyl-2-hydroxyphenyl)-1-[2-(dimethylamino)ethyl]indol-2-one
CID 90089280
3-(5-Tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one
CID 90089318
3,3-Bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
CID 90089335
3-(5-Tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one
CID 90089338
3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-(5-tert-butyl-2-hydroxyphenyl)-1H-indol-2-one
CID 121289608
3-[5-tert-butyl-2-[2-(diethylamino)ethoxy]phenyl]-3-(5-tert-butyl-2-hydroxyphenyl)-1H-indol-2-one
CID 121289609
3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289612
3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289615
3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one
CID 121289616
3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289618

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one?
The IUPAC name of 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one (CID 162103252) is 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one.
What is the SMILES notation for 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one?
The canonical SMILES for 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one is CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)N(CCN3CCOCC3)c3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCNCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCNCC3)C(=O)Nc3ccccc32)c1.CCN(CCO)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCN2CCOCC2)C(=O)N(CCN(C)C)c2ccccc21.
What is the InChIKey of 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one?
The InChIKey is ZFDYAZCIZYYXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H64N4O5.C40H55N5O3.C40H53N3O5/c1-10-46(21-26-49)24-29-52-39-17-15-33(42(2,3)4)31-36(39)44(35-13-11-12-14-38(35)48(41(44)50)20-19-45(8)9)37-32-34(43(5,6)7)16-18-40(37)53-30-25-47-22-27-51-28-23-47;1-38(2,3)29-11-13-35(47-25-23-44-19-15-41-16-20-44)32(27-29)40(31-9-7-8-10-34(31)43-37(40)46)33-28-30(39(4,5)6)12-14-36(33)48-26-24-45-21-17-42-18-22-45;1-38(2,3)29-11-13-35(44)32(27-29)40(31-9-7-8-10-34(31)43(37(40)45)16-15-41-17-22-46-23-18-41)33-28-30(39(4,5)6)12-14-36(33)48-26-21-42-19-24-47-25-20-42/h11-18,31-32,49H,10,19-30H2,1-9H3;7-14,27-28,41-42H,15-26H2,1-6H3,(H,43,46);7-14,27-28,44H,15-26H2,1-6H3.
What are the key properties of 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one?
3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one has a molecular weight of 2038.81 g/mol, XLogP of 16.78, 35 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one;3-[5-tert-butyl-2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one;3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one is sourced from PubChem (CID 162103252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).