2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C211H109N23O42 — CID 159313508

IUPAC2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O.Cc1ccc2c(c1)N=C(c1ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8cccc(-c9ccc%10c(c9)C(=O)NC%10=O)c8C7=O)cc5)C6=O)cc4C3=O)cc1O)C2.Cc1ccc2oc(-c3cc(O)c(-c4nc5cc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(-n%10c(=O)c%11cc%12c(=O)[nH]c(=O)c%12cc%11c%10=O)cc8)C9=O)cc7C6=O)ccc5o4)cc3O)nc2c1.Cn1c(=O)c2cc3c(=O)n(-c4ccc5oc(-c6cc(O)c(-c7nc8cc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(c%11ccccc%11)C%12=O)cc%10C9=O)ccc8o7)cc6O)nc5c4)c(=O)c3cc2c1=O
InChIInChI=1S/2C53H26N6O12.C53H29N5O9.C52H28N6O9/c1-22-2-12-42-38(14-22)54-46(70-42)36-20-41(61)37(21-40(36)60)47-55-39-17-27(9-13-43(39)71-47)59-49(65)29-11-4-24(16-33(29)51(59)67)23-3-10-28-32(15-23)50(66)57(48(28)64)25-5-7-26(8-6-25)58-52(68)34-18-30-31(19-35(34)53(58)69)45(63)56-44(30)62;1-56-46(62)32-19-34-35(20-33(32)47(56)63)53(69)59(52(34)68)27-10-14-43-39(18-27)55-45(71-43)37-22-40(60)36(21-41(37)61)44-54-38-17-26(9-13-42(38)70-44)58-49(65)29-12-8-24(16-31(29)51(58)67)23-7-11-28-30(15-23)50(66)57(48(28)64)25-5-3-2-4-6-25;1-25-5-6-29-23-43(54-42(29)19-25)37-18-14-32(24-44(37)59)58-49(63)36-17-8-27(21-41(36)52(58)66)26-7-16-35-40(20-26)51(65)56(48(35)62)30-10-12-31(13-11-30)57-50(64)38-4-2-3-33(45(38)53(57)67)28-9-15-34-39(22-28)47(61)55-46(34)60;1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-21,60-61H,1H3,(H,56,62,63);2-22,60-61H,1H3;2-22,24,59H,23H2,1H3,(H,55,60,61);2-24,59H,1H3,(H,53,54)
InChIKeyLCVPHQOBGSNFKZ-UHFFFAOYSA-N
MW3638.31 g/mol
LogP29.66
Rot. Bonds24

About 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 159313508) has the molecular formula C211H109N23O42 and a molecular weight of 3638.31 g/mol. Its IUPAC name is 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID159313508
Molecular FormulaC211H109N23O42
Molecular Weight3638.31 g/mol
Exact Mass3635.71
IUPAC Name2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O.Cc1ccc2c(c1)N=C(c1ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8cccc(-c9ccc%10c(c9)C(=O)NC%10=O)c8C7=O)cc5)C6=O)cc4C3=O)cc1O)C2.Cc1ccc2oc(-c3cc(O)c(-c4nc5cc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(-n%10c(=O)c%11cc%12c(=O)[nH]c(=O)c%12cc%11c%10=O)cc8)C9=O)cc7C6=O)ccc5o4)cc3O)nc2c1.Cn1c(=O)c2cc3c(=O)n(-c4ccc5oc(-c6cc(O)c(-c7nc8cc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(c%11ccccc%11)C%12=O)cc%10C9=O)ccc8o7)cc6O)nc5c4)c(=O)c3cc2c1=O
InChIInChI=1S/2C53H26N6O12.C53H29N5O9.C52H28N6O9/c1-22-2-12-42-38(14-22)54-46(70-42)36-20-41(61)37(21-40(36)60)47-55-39-17-27(9-13-43(39)71-47)59-49(65)29-11-4-24(16-33(29)51(59)67)23-3-10-28-32(15-23)50(66)57(48(28)64)25-5-7-26(8-6-25)58-52(68)34-18-30-31(19-35(34)53(58)69)45(63)56-44(30)62;1-56-46(62)32-19-34-35(20-33(32)47(56)63)53(69)59(52(34)68)27-10-14-43-39(18-27)55-45(71-43)37-22-40(60)36(21-41(37)61)44-54-38-17-26(9-13-42(38)70-44)58-49(65)29-12-8-24(16-31(29)51(58)67)23-7-11-28-30(15-23)50(66)57(48(28)64)25-5-3-2-4-6-25;1-25-5-6-29-23-43(54-42(29)19-25)37-18-14-32(24-44(37)59)58-49(63)36-17-8-27(21-41(36)52(58)66)26-7-16-35-40(20-26)51(65)56(48(35)62)30-10-12-31(13-11-30)57-50(64)38-4-2-3-33(45(38)53(57)67)28-9-15-34-39(22-28)47(61)55-46(34)60;1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-21,60-61H,1H3,(H,56,62,63);2-22,60-61H,1H3;2-22,24,59H,23H2,1H3,(H,55,60,61);2-24,59H,1H3,(H,53,54)
InChIKeyLCVPHQOBGSNFKZ-UHFFFAOYSA-N
XLogP29.66
TPSA891.03 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds24
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003638.31
LogP ≤ 529.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 159313508) is 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O.Cc1ccc2c(c1)N=C(c1ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8cccc(-c9ccc%10c(c9)C(=O)NC%10=O)c8C7=O)cc5)C6=O)cc4C3=O)cc1O)C2.Cc1ccc2oc(-c3cc(O)c(-c4nc5cc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(-n%10c(=O)c%11cc%12c(=O)[nH]c(=O)c%12cc%11c%10=O)cc8)C9=O)cc7C6=O)ccc5o4)cc3O)nc2c1.Cn1c(=O)c2cc3c(=O)n(-c4ccc5oc(-c6cc(O)c(-c7nc8cc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(c%11ccccc%11)C%12=O)cc%10C9=O)ccc8o7)cc6O)nc5c4)c(=O)c3cc2c1=O.
What is the InChIKey of 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is LCVPHQOBGSNFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H26N6O12.C53H29N5O9.C52H28N6O9/c1-22-2-12-42-38(14-22)54-46(70-42)36-20-41(61)37(21-40(36)60)47-55-39-17-27(9-13-43(39)71-47)59-49(65)29-11-4-24(16-33(29)51(59)67)23-3-10-28-32(15-23)50(66)57(48(28)64)25-5-7-26(8-6-25)58-52(68)34-18-30-31(19-35(34)53(58)69)45(63)56-44(30)62;1-56-46(62)32-19-34-35(20-33(32)47(56)63)53(69)59(52(34)68)27-10-14-43-39(18-27)55-45(71-43)37-22-40(60)36(21-41(37)61)44-54-38-17-26(9-13-42(38)70-44)58-49(65)29-12-8-24(16-31(29)51(58)67)23-7-11-28-30(15-23)50(66)57(48(28)64)25-5-3-2-4-6-25;1-25-5-6-29-23-43(54-42(29)19-25)37-18-14-32(24-44(37)59)58-49(63)36-17-8-27(21-41(36)52(58)66)26-7-16-35-40(20-26)51(65)56(48(35)62)30-10-12-31(13-11-30)57-50(64)38-4-2-3-33(45(38)53(57)67)28-9-15-34-39(22-28)47(61)55-46(34)60;1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-21,60-61H,1H3,(H,56,62,63);2-22,60-61H,1H3;2-22,24,59H,23H2,1H3,(H,55,60,61);2-24,59H,1H3,(H,53,54).
What are the key properties of 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 3638.31 g/mol, XLogP of 29.66, 24 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1,3-benzoxazol-2-yl]-2,5-dihydroxyphenyl]-1,3-benzoxazol-5-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 159313508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).