3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one

C118H159F2N13O9 — CID 157114773

IUPAC3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3c2ccc(F)c3F)c1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)N(CCN3CCNCC3)c3ccccc32)CC1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C48H71N7O3.C42H59N5O3.C28H29F2NO3/c1-46(2,3)37-13-15-43(57-33-31-53-25-21-50(7)22-26-53)40(35-37)48(39-11-9-10-12-42(39)55(45(48)56)30-29-52-19-17-49-18-20-52)41-36-38(47(4,5)6)14-16-44(41)58-34-32-54-27-23-51(8)24-28-54;1-40(2,3)31-13-15-37(49-27-25-46-21-17-44(7)18-22-46)34(29-31)42(33-11-9-10-12-36(33)43-39(42)48)35-30-32(41(4,5)6)14-16-38(35)50-28-26-47-23-19-45(8)20-24-47;1-26(2,3)15-7-11-21(32)18(13-15)28(19-14-16(27(4,5)6)8-12-22(19)33)17-9-10-20(29)23(30)24(17)31-25(28)34/h9-16,35-36,49H,17-34H2,1-8H3;9-16,29-30H,17-28H2,1-8H3,(H,43,48);7-14,32-33H,1-6H3,(H,31,34)
InChIKeyAHGNMCBWYKAGTJ-UHFFFAOYSA-N
MW1941.65 g/mol
LogP17.20
Rot. Bonds25

About 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one

3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one (PubChem CID 157114773) has the molecular formula C118H159F2N13O9 and a molecular weight of 1941.65 g/mol. Its IUPAC name is 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one.

Molecular Properties

Compound Name3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one
PubChem CID157114773
Molecular FormulaC118H159F2N13O9
Molecular Weight1941.65 g/mol
Exact Mass1940.24
IUPAC Name3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3c2ccc(F)c3F)c1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)N(CCN3CCNCC3)c3ccccc32)CC1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C48H71N7O3.C42H59N5O3.C28H29F2NO3/c1-46(2,3)37-13-15-43(57-33-31-53-25-21-50(7)22-26-53)40(35-37)48(39-11-9-10-12-42(39)55(45(48)56)30-29-52-19-17-49-18-20-52)41-36-38(47(4,5)6)14-16-44(41)58-34-32-54-27-23-51(8)24-28-54;1-40(2,3)31-13-15-37(49-27-25-46-21-17-44(7)18-22-46)34(29-31)42(33-11-9-10-12-36(33)43-39(42)48)35-30-32(41(4,5)6)14-16-38(35)50-28-26-47-23-19-45(8)20-24-47;1-26(2,3)15-7-11-21(32)18(13-15)28(19-14-16(27(4,5)6)8-12-22(19)33)17-9-10-20(29)23(30)24(17)31-25(28)34/h9-16,35-36,49H,17-34H2,1-8H3;9-16,29-30H,17-28H2,1-8H3,(H,43,48);7-14,32-33H,1-6H3,(H,31,34)
InChIKeyAHGNMCBWYKAGTJ-UHFFFAOYSA-N
XLogP17.20
TPSA197.08 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001941.65
LogP ≤ 517.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-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-(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-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
3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289619
3-(5-tert-butyl-2-hydroxyphenyl)-3-[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one
CID 121289620
3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289624
3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one
CID 121289625

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one?
The IUPAC name of 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one (CID 157114773) is 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one.
What is the SMILES notation for 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one?
The canonical SMILES for 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one is CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3c2ccc(F)c3F)c1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)N(CCN3CCNCC3)c3ccccc32)CC1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)Nc3ccccc32)CC1.
What is the InChIKey of 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one?
The InChIKey is AHGNMCBWYKAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H71N7O3.C42H59N5O3.C28H29F2NO3/c1-46(2,3)37-13-15-43(57-33-31-53-25-21-50(7)22-26-53)40(35-37)48(39-11-9-10-12-42(39)55(45(48)56)30-29-52-19-17-49-18-20-52)41-36-38(47(4,5)6)14-16-44(41)58-34-32-54-27-23-51(8)24-28-54;1-40(2,3)31-13-15-37(49-27-25-46-21-17-44(7)18-22-46)34(29-31)42(33-11-9-10-12-36(33)43-39(42)48)35-30-32(41(4,5)6)14-16-38(35)50-28-26-47-23-19-45(8)20-24-47;1-26(2,3)15-7-11-21(32)18(13-15)28(19-14-16(27(4,5)6)8-12-22(19)33)17-9-10-20(29)23(30)24(17)31-25(28)34/h9-16,35-36,49H,17-34H2,1-8H3;9-16,29-30H,17-28H2,1-8H3,(H,43,48);7-14,32-33H,1-6H3,(H,31,34).
What are the key properties of 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one?
3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one has a molecular weight of 1941.65 g/mol, XLogP of 17.20, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(5-tert-butyl-2-hydroxyphenyl)-6,7-difluoro-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one is sourced from PubChem (CID 157114773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).