5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

C66H38N8O11 — CID 158570634

IUPAC5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(C2=Nc3nc4[nH]c(-c5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(N%11C(=O)c%12ccc(-c%13ccc%14c(c%13)C(=O)N(C)C%14=O)cc%12C%11=O)cc%10)cc8)C9=O)cc7C6=O)cc5O)nc4cc3C2)c(O)c1
InChIInChI=1S/C66H38N8O11/c1-31-3-17-46(54(75)23-31)52-28-36-29-53-58(69-56(36)67-52)70-57(68-53)47-22-12-39(30-55(47)76)74-63(81)45-21-7-35(27-51(45)66(74)84)34-6-20-44-50(26-34)65(83)73(62(44)80)38-10-15-41(16-11-38)85-40-13-8-37(9-14-40)72-61(79)43-19-5-33(25-49(43)64(72)82)32-4-18-42-48(24-32)60(78)71(2)59(42)77/h3-27,29-30,75-76H,28H2,1-2H3,(H,68,69,70)
InChIKeyHSAMWMPUCUSSNM-UHFFFAOYSA-N
MW1119.07 g/mol
LogP10.78
Rot. Bonds9

About 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (PubChem CID 158570634) has the molecular formula C66H38N8O11 and a molecular weight of 1119.07 g/mol. Its IUPAC name is 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
PubChem CID158570634
Molecular FormulaC66H38N8O11
Molecular Weight1119.07 g/mol
Exact Mass1118.27
IUPAC Name5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(C2=Nc3nc4[nH]c(-c5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(N%11C(=O)c%12ccc(-c%13ccc%14c(c%13)C(=O)N(C)C%14=O)cc%12C%11=O)cc%10)cc8)C9=O)cc7C6=O)cc5O)nc4cc3C2)c(O)c1
InChIInChI=1S/C66H38N8O11/c1-31-3-17-46(54(75)23-31)52-28-36-29-53-58(69-56(36)67-52)70-57(68-53)47-22-12-39(30-55(47)76)74-63(81)45-21-7-35(27-51(45)66(74)84)34-6-20-44-50(26-34)65(83)73(62(44)80)38-10-15-41(16-11-38)85-40-13-8-37(9-14-40)72-61(79)43-19-5-33(25-49(43)64(72)82)32-4-18-42-48(24-32)60(78)71(2)59(42)77/h3-27,29-30,75-76H,28H2,1-2H3,(H,68,69,70)
InChIKeyHSAMWMPUCUSSNM-UHFFFAOYSA-N
XLogP10.78
TPSA253.14 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.07
LogP ≤ 510.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-fluoro-2-hydroxyphenyl)-(6-methoxy-1H-benzimidazol-2-yl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-3H-isoindol-1-one
CID 166509705
5-[2-[2-[3-[4-diphenylphosphoryl-3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[1,1,1,3,3,3-hexafluoro-2-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-(4-methoxyphenyl)-6-[2-[4-[4-[(4-methylphenyl)-phenylphosphoryl]phenoxy]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 161906153
8,20,32,44-Tetrakis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone
CID 134915904
[3-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-1-(4-methylpiperazin-1-yl)propyl]-[6-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87761330
2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 89592269
[1-(chloromethyl)-7-[[4-[6-[1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-benzimidazol-2-yl]-N-methylanilino]methyl]-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indol-3-yl]-[2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazol-5-yl]methanone
CID 91404503
2-hydroxy-N-[4-[6-[1-hydroxy-3-oxo-2-(3-phenoxyphenyl)isoindol-1-yl]-1H-benzimidazol-2-yl]-4-piperidin-1-ylbutyl]benzamide
CID 135350003
2-methyl-5-[2-[4-[5-[2-[4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 136503960
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
CID 140917485
5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
CID 152997637
5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
CID 157342534
2-[4-[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxylic acid;1-[2-[4-[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-4-pyrrolidin-1-ylbutan-1-one;2-pyrrolidin-1-ylethanamine
CID 157791580

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (CID 158570634) is 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is Cc1ccc(C2=Nc3nc4[nH]c(-c5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(N%11C(=O)c%12ccc(-c%13ccc%14c(c%13)C(=O)N(C)C%14=O)cc%12C%11=O)cc%10)cc8)C9=O)cc7C6=O)cc5O)nc4cc3C2)c(O)c1.
What is the InChIKey of 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The InChIKey is HSAMWMPUCUSSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N8O11/c1-31-3-17-46(54(75)23-31)52-28-36-29-53-58(69-56(36)67-52)70-57(68-53)47-22-12-39(30-55(47)76)74-63(81)45-21-7-35(27-51(45)66(74)84)34-6-20-44-50(26-34)65(83)73(62(44)80)38-10-15-41(16-11-38)85-40-13-8-37(9-14-40)72-61(79)43-19-5-33(25-49(43)64(72)82)32-4-18-42-48(24-32)60(78)71(2)59(42)77/h3-27,29-30,75-76H,28H2,1-2H3,(H,68,69,70).
What are the key properties of 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1119.07 g/mol, XLogP of 10.78, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 158570634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).