3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one

C201H214N15O26S+ — CID 158011083

About 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one

3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one (PubChem CID 158011083) has the molecular formula C201H214N15O26S+ and a molecular weight of 3288.07 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one
• PubChem CID: 158011083
• Molecular Formula: C201H214N15O26S+
• Molecular Weight: 3288.07 g/mol
• Exact Mass: 3285.56
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one
• SMILES: CC(C)CN(CC(C)C)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CC(C)C)CC(C)C)cc3O)=C2O)C(O)=C1.CC1(C)CCN2CCC(C)(C)c3c(O)c(C4=C(O)/C(=c5\cc6c7c(c5O)C(C)(C)CC[N+]=7CCC6(C)C)C4=O)cc1c32.CCN(CC)C1=CC(=O)C(=C2C(=O)C(c3ccc(N(CC)CC)cc3O)=C2O)C=C1.CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.CN1C(=CC2=C(O)C(=CC3N(C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21.O=C1C(=C2C(O)=CC(=[N+](c3ccccc3)c3ccccc3)C=C2O)C([O-])=C1c1c(O)cc(N(c2ccccc2)c2ccccc2)cc1O
• InChI: InChI=1S/C40H28N2O6.C36H44N2O4.C32H44N2O6.C28H30N2O2.C24H28N2O4.C21H21N3O2.C20H18N2O2S/c43-31-21-29(41(25-13-5-1-6-14-25)26-15-7-2-8-16-26)22-32(44)35(31)37-39(47)38(40(37)48)36-33(45)23-30(24-34(36)46)42(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-33(2)9-13-37-15-11-35(5,6)25-27(37)21(33)17-19(29(25)39)23-31(41)24(32(23)42)20-18-22-28-26(30(20)40)36(7,8)12-16-38(28)14-10-34(22,3)4;1-17(2)13-33(14-18(3)4)21-9-23(35)27(24(36)10-21)29-31(39)30(32(29)40)28-25(37)11-22(12-26(28)38)34(15-19(5)6)16-20(7)8;1-27(2)19-11-7-9-13-21(19)29(5)23(27)15-17-25(31)18(26(17)32)16-24-28(3,4)20-12-8-10-14-22(20)30(24)6;1-5-25(6-2)15-9-11-17(19(27)13-15)21-23(29)22(24(21)30)18-12-10-16(14-20(18)28)26(7-3)8-4;1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3;1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h1-24H,(H4,43,44,45,46,47,48);17-18H,9-16H2,1-8H3,(H2,39,40,41,42);9-12,17-20,35-37,39H,13-16H2,1-8H3;7-16,23,31H,1-6H3;9-14,27,29H,5-8H2,1-4H3;6-13H,4-5H2,1-3H3;5-12H,3-4H2,1-2H3/p+1
• InChIKey: MAXOFRBXTRPAIR-UHFFFAOYSA-O
• XLogP: 36.38
• TPSA: 555.32 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3288.07
LogP ≤ 5	36.38
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one (CID 158011083) is 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one is CC(C)CN(CC(C)C)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CC(C)C)CC(C)C)cc3O)=C2O)C(O)=C1.CC1(C)CCN2CCC(C)(C)c3c(O)c(C4=C(O)/C(=c5\cc6c7c(c5O)C(C)(C)CC[N+]=7CCC6(C)C)C4=O)cc1c32.CCN(CC)C1=CC(=O)C(=C2C(=O)C(c3ccc(N(CC)CC)cc3O)=C2O)C=C1.CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.CN1C(=CC2=C(O)C(=CC3N(C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21.O=C1C(=C2C(O)=CC(=[N+](c3ccccc3)c3ccccc3)C=C2O)C([O-])=C1c1c(O)cc(N(c2ccccc2)c2ccccc2)cc1O.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one?

The InChIKey is MAXOFRBXTRPAIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H28N2O6.C36H44N2O4.C32H44N2O6.C28H30N2O2.C24H28N2O4.C21H21N3O2.C20H18N2O2S/c43-31-21-29(41(25-13-5-1-6-14-25)26-15-7-2-8-16-26)22-32(44)35(31)37-39(47)38(40(37)48)36-33(45)23-30(24-34(36)46)42(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-33(2)9-13-37-15-11-35(5,6)25-27(37)21(33)17-19(29(25)39)23-31(41)24(32(23)42)20-18-22-28-26(30(20)40)36(7,8)12-16-38(28)14-10-34(22,3)4;1-17(2)13-33(14-18(3)4)21-9-23(35)27(24(36)10-21)29-31(39)30(32(29)40)28-25(37)11-22(12-26(28)38)34(15-19(5)6)16-20(7)8;1-27(2)19-11-7-9-13-21(19)29(5)23(27)15-17-25(31)18(26(17)32)16-24-28(3,4)20-12-8-10-14-22(20)30(24)6;1-5-25(6-2)15-9-11-17(19(27)13-15)21-23(29)22(24(21)30)18-12-10-16(14-20(18)28)26(7-3)8-4;1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3;1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h1-24H,(H4,43,44,45,46,47,48);17-18H,9-16H2,1-8H3,(H2,39,40,41,42);9-12,17-20,35-37,39H,13-16H2,1-8H3;7-16,23,31H,1-6H3;9-14,27,29H,5-8H2,1-4H3;6-13H,4-5H2,1-3H3;5-12H,3-4H2,1-2H3/p+1.

What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one?

3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one has a molecular weight of 3288.07 g/mol, XLogP of 36.38, 35 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-[bis(2-methylpropyl)amino]-6-[3-[4-[bis(2-methylpropyl)amino]-2,6-dihydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-hydroxycyclohexa-2,4-dien-1-one;3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;2-[2,6-dihydroxy-4-(N-phenylanilino)phenyl]-4-(4-diphenylazaniumylidene-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate;(4Z)-3-hydroxy-2-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4-(6-hydroxy-4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-trien-7-ylidene)cyclobut-2-en-1-one;3-hydroxy-2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobut-2-en-1-one is sourced from PubChem (CID 158011083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).