6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide

C153H145N15O15S — CID 158812598

IUPAC6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide
SMILESCCCCCCCCCCCCc1ccc(Nc2cc(Oc3ccccc3)c3nc(-c4ccc(OC)cc4O)nc4c3c2C(=O)c2ccccc2-4)cc1.CCCCN(CCCC)c1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c4n2)C(=O)c2ccccc2-3)c(O)c1.COCCNc1ccc2nc(-c3ccccc3NS(C)(=O)=O)nc3c2c1C(=O)c1ccccc1-3.Cc1cccc(Oc2cc(Nc3ccccn3)c3c4c(nc(-c5ccc(O)cc5O)nc24)-c2ccccc2C3=O)c1
InChIInChI=1S/C49H54N4O3.C46H47N3O4.C33H22N4O4.C25H22N4O4S/c1-8-10-27-53(28-11-9-2)34-23-26-38(40(54)29-34)47-51-44-36-19-15-16-20-37(36)46(55)42-39(50-33-17-13-12-14-18-33)30-41(45(52-47)43(42)44)56-35-24-21-32(22-25-35)49(6,7)31-48(3,4)5;1-3-4-5-6-7-8-9-10-11-13-18-31-23-25-32(26-24-31)47-38-30-40(53-33-19-14-12-15-20-33)44-42-41(38)45(51)36-22-17-16-21-35(36)43(42)48-46(49-44)37-28-27-34(52-2)29-39(37)50;1-18-7-6-8-20(15-18)41-26-17-24(35-27-11-4-5-14-34-27)28-29-30(21-9-2-3-10-22(21)32(28)40)36-33(37-31(26)29)23-13-12-19(38)16-25(23)39;1-33-14-13-26-19-11-12-20-21-22(19)24(30)16-8-4-3-7-15(16)23(21)28-25(27-20)17-9-5-6-10-18(17)29-34(2,31)32/h12-26,29-30,50,54H,8-11,27-28,31H2,1-7H3;12,14-17,19-30,47,50H,3-11,13,18H2,1-2H3;2-17,38-39H,1H3,(H,34,35);3-12,26,29H,13-14H2,1-2H3
InChIKeyIUWJOBHHYLDUTQ-UHFFFAOYSA-N
MW2466.00 g/mol
LogP36.19
Rot. Bonds43

About 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide

6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 158812598) has the molecular formula C153H145N15O15S and a molecular weight of 2466.00 g/mol. Its IUPAC name is 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide
PubChem CID158812598
Molecular FormulaC153H145N15O15S
Molecular Weight2466.00 g/mol
Exact Mass2464.08
IUPAC Name6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide
SMILESCCCCCCCCCCCCc1ccc(Nc2cc(Oc3ccccc3)c3nc(-c4ccc(OC)cc4O)nc4c3c2C(=O)c2ccccc2-4)cc1.CCCCN(CCCC)c1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c4n2)C(=O)c2ccccc2-3)c(O)c1.COCCNc1ccc2nc(-c3ccccc3NS(C)(=O)=O)nc3c2c1C(=O)c1ccccc1-3.Cc1cccc(Oc2cc(Nc3ccccn3)c3c4c(nc(-c5ccc(O)cc5O)nc24)-c2ccccc2C3=O)c1
InChIInChI=1S/C49H54N4O3.C46H47N3O4.C33H22N4O4.C25H22N4O4S/c1-8-10-27-53(28-11-9-2)34-23-26-38(40(54)29-34)47-51-44-36-19-15-16-20-37(36)46(55)42-39(50-33-17-13-12-14-18-33)30-41(45(52-47)43(42)44)56-35-24-21-32(22-25-35)49(6,7)31-48(3,4)5;1-3-4-5-6-7-8-9-10-11-13-18-31-23-25-32(26-24-31)47-38-30-40(53-33-19-14-12-15-20-33)44-42-41(38)45(51)36-22-17-16-21-35(36)43(42)48-46(49-44)37-28-27-34(52-2)29-39(37)50;1-18-7-6-8-20(15-18)41-26-17-24(35-27-11-4-5-14-34-27)28-29-30(21-9-2-3-10-22(21)32(28)40)36-33(37-31(26)29)23-13-12-19(38)16-25(23)39;1-33-14-13-26-19-11-12-20-21-22(19)24(30)16-8-4-3-7-15(16)23(21)28-25(27-20)17-9-5-6-10-18(17)29-34(2,31)32/h12-26,29-30,50,54H,8-11,27-28,31H2,1-7H3;12,14-17,19-30,47,50H,3-11,13,18H2,1-2H3;2-17,38-39H,1H3,(H,34,35);3-12,26,29H,13-14H2,1-2H3
InChIKeyIUWJOBHHYLDUTQ-UHFFFAOYSA-N
XLogP36.19
TPSA408.89 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds43
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.00
LogP ≤ 536.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide (CID 158812598) is 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide is CCCCCCCCCCCCc1ccc(Nc2cc(Oc3ccccc3)c3nc(-c4ccc(OC)cc4O)nc4c3c2C(=O)c2ccccc2-4)cc1.CCCCN(CCCC)c1ccc(-c2nc3c4c(c(Nc5ccccc5)cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c4n2)C(=O)c2ccccc2-3)c(O)c1.COCCNc1ccc2nc(-c3ccccc3NS(C)(=O)=O)nc3c2c1C(=O)c1ccccc1-3.Cc1cccc(Oc2cc(Nc3ccccn3)c3c4c(nc(-c5ccc(O)cc5O)nc24)-c2ccccc2C3=O)c1.
What is the InChIKey of 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is IUWJOBHHYLDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54N4O3.C46H47N3O4.C33H22N4O4.C25H22N4O4S/c1-8-10-27-53(28-11-9-2)34-23-26-38(40(54)29-34)47-51-44-36-19-15-16-20-37(36)46(55)42-39(50-33-17-13-12-14-18-33)30-41(45(52-47)43(42)44)56-35-24-21-32(22-25-35)49(6,7)31-48(3,4)5;1-3-4-5-6-7-8-9-10-11-13-18-31-23-25-32(26-24-31)47-38-30-40(53-33-19-14-12-15-20-33)44-42-41(38)45(51)36-22-17-16-21-35(36)43(42)48-46(49-44)37-28-27-34(52-2)29-39(37)50;1-18-7-6-8-20(15-18)41-26-17-24(35-27-11-4-5-14-34-27)28-29-30(21-9-2-3-10-22(21)32(28)40)36-33(37-31(26)29)23-13-12-19(38)16-25(23)39;1-33-14-13-26-19-11-12-20-21-22(19)24(30)16-8-4-3-7-15(16)23(21)28-25(27-20)17-9-5-6-10-18(17)29-34(2,31)32/h12-26,29-30,50,54H,8-11,27-28,31H2,1-7H3;12,14-17,19-30,47,50H,3-11,13,18H2,1-2H3;2-17,38-39H,1H3,(H,34,35);3-12,26,29H,13-14H2,1-2H3.
What are the key properties of 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 2466.00 g/mol, XLogP of 36.19, 43 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-7-one;2-(2,4-dihydroxyphenyl)-4-(3-methylphenoxy)-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;6-(4-dodecylanilino)-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;N-[2-[6-(2-methoxyethylamino)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 158812598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).