6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane

C167H151F3N14O14S — CID 161224563

IUPAC6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane
SMILESCC.CC.CC(C)(C)C(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5cc6ccccc6cc5O)nc24)-c2ccccc2C3=O)cc1.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5c(O)cccc5O)nc24)-c2ccccc2C3=O)cc1.CN(C)c1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c4n2)C(=O)c2ccccc2-3)c(O)c1.Cc1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccccc5)c4n2)C(=O)c2ccccc2-3)c(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C44H37N3O3.C43H42N4O3.C41H37N3O4.C35H23F3N4O4S.2C2H6/c1-43(2,3)44(4,5)28-19-21-30(22-20-28)50-36-25-34(45-29-15-7-6-8-16-29)37-38-39(31-17-11-12-18-32(31)41(37)49)46-42(47-40(36)38)33-23-26-13-9-10-14-27(26)24-35(33)48;1-42(2,3)25-43(4,5)26-17-20-29(21-18-26)50-35-24-33(44-27-13-9-8-10-14-27)36-37-38(30-15-11-12-16-31(30)40(36)49)45-41(46-39(35)37)32-22-19-28(47(6)7)23-34(32)48;1-40(2,3)23-41(4,5)24-18-20-26(21-19-24)48-32-22-29(42-25-12-7-6-8-13-25)33-35-36(27-14-9-10-15-28(27)38(33)47)43-39(44-37(32)35)34-30(45)16-11-17-31(34)46;1-20-16-17-25(26(18-20)42-47(44,45)35(36,37)38)34-40-31-23-14-8-9-15-24(23)33(43)29-27(39-21-10-4-2-5-11-21)19-28(32(41-34)30(29)31)46-22-12-6-3-7-13-22;2*1-2/h6-25,45,48H,1-5H3;8-24,44,48H,25H2,1-7H3;6-22,42,45-46H,23H2,1-5H3;2-19,39,42H,1H3;2*1-2H3
InChIKeyUXYJBBHMBLZYCU-UHFFFAOYSA-N
MW2667.19 g/mol
LogP42.59
Rot. Bonds28

About 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane

6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane (PubChem CID 161224563) has the molecular formula C167H151F3N14O14S and a molecular weight of 2667.19 g/mol. Its IUPAC name is 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane.

Molecular Properties

Compound Name6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane
PubChem CID161224563
Molecular FormulaC167H151F3N14O14S
Molecular Weight2667.19 g/mol
Exact Mass2665.12
IUPAC Name6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane
SMILESCC.CC.CC(C)(C)C(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5cc6ccccc6cc5O)nc24)-c2ccccc2C3=O)cc1.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5c(O)cccc5O)nc24)-c2ccccc2C3=O)cc1.CN(C)c1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c4n2)C(=O)c2ccccc2-3)c(O)c1.Cc1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccccc5)c4n2)C(=O)c2ccccc2-3)c(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C44H37N3O3.C43H42N4O3.C41H37N3O4.C35H23F3N4O4S.2C2H6/c1-43(2,3)44(4,5)28-19-21-30(22-20-28)50-36-25-34(45-29-15-7-6-8-16-29)37-38-39(31-17-11-12-18-32(31)41(37)49)46-42(47-40(36)38)33-23-26-13-9-10-14-27(26)24-35(33)48;1-42(2,3)25-43(4,5)26-17-20-29(21-18-26)50-35-24-33(44-27-13-9-8-10-14-27)36-37-38(30-15-11-12-16-31(30)40(36)49)45-41(46-39(35)37)32-22-19-28(47(6)7)23-34(32)48;1-40(2,3)23-41(4,5)24-18-20-26(21-19-24)48-32-22-29(42-25-12-7-6-8-13-25)33-35-36(27-14-9-10-15-28(27)38(33)47)43-39(44-37(32)35)34-30(45)16-11-17-31(34)46;1-20-16-17-25(26(18-20)42-47(44,45)35(36,37)38)34-40-31-23-14-8-9-15-24(23)33(43)29-27(39-21-10-4-2-5-11-21)19-28(32(41-34)30(29)31)46-22-12-6-3-7-13-22;2*1-2/h6-25,45,48H,1-5H3;8-24,44,48H,25H2,1-7H3;6-22,42,45-46H,23H2,1-5H3;2-19,39,42H,1H3;2*1-2H3
InChIKeyUXYJBBHMBLZYCU-UHFFFAOYSA-N
XLogP42.59
TPSA386.77 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002667.19
LogP ≤ 542.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane?
The IUPAC name of 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane (CID 161224563) is 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane.
What is the SMILES notation for 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane?
The canonical SMILES for 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane is CC.CC.CC(C)(C)C(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5cc6ccccc6cc5O)nc24)-c2ccccc2C3=O)cc1.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5c(O)cccc5O)nc24)-c2ccccc2C3=O)cc1.CN(C)c1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c4n2)C(=O)c2ccccc2-3)c(O)c1.Cc1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccccc5)c4n2)C(=O)c2ccccc2-3)c(NS(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane?
The InChIKey is UXYJBBHMBLZYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N3O3.C43H42N4O3.C41H37N3O4.C35H23F3N4O4S.2C2H6/c1-43(2,3)44(4,5)28-19-21-30(22-20-28)50-36-25-34(45-29-15-7-6-8-16-29)37-38-39(31-17-11-12-18-32(31)41(37)49)46-42(47-40(36)38)33-23-26-13-9-10-14-27(26)24-35(33)48;1-42(2,3)25-43(4,5)26-17-20-29(21-18-26)50-35-24-33(44-27-13-9-8-10-14-27)36-37-38(30-15-11-12-16-31(30)40(36)49)45-41(46-39(35)37)32-22-19-28(47(6)7)23-34(32)48;1-40(2,3)23-41(4,5)24-18-20-26(21-19-24)48-32-22-29(42-25-12-7-6-8-13-25)33-35-36(27-14-9-10-15-28(27)38(33)47)43-39(44-37(32)35)34-30(45)16-11-17-31(34)46;1-20-16-17-25(26(18-20)42-47(44,45)35(36,37)38)34-40-31-23-14-8-9-15-24(23)33(43)29-27(39-21-10-4-2-5-11-21)19-28(32(41-34)30(29)31)46-22-12-6-3-7-13-22;2*1-2/h6-25,45,48H,1-5H3;8-24,44,48H,25H2,1-7H3;6-22,42,45-46H,23H2,1-5H3;2-19,39,42H,1H3;2*1-2H3.
What are the key properties of 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane?
6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane has a molecular weight of 2667.19 g/mol, XLogP of 42.59, 28 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-2-(2,6-dihydroxyphenyl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-[4-(dimethylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;6-anilino-2-(3-hydroxynaphthalen-2-yl)-4-[4-(2,3,3-trimethylbutan-2-yl)phenoxy]benzo[e]perimidin-7-one;N-[2-(6-anilino-7-oxo-4-phenoxybenzo[e]perimidin-2-yl)-5-methylphenyl]-1,1,1-trifluoromethanesulfonamide;ethane is sourced from PubChem (CID 161224563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).