5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione

C78H60F12N4O24Si8 — CID 58657620

IUPAC5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)c(OCc8ccc([Si]9%10O[Si]%11(C)O[Si]%12(C)O[Si]%13(C)O[Si](C)(O%11)O[Si](C)(O[Si](C)(O%13)O[Si](C)(O%12)O9)O%10)cc8)c7)cc5O)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(O)c2)cc1O
InChIInChI=1S/C78H60F12N4O24Si8/c1-39-10-13-41(30-61(39)95)42-14-27-58(62(96)31-42)92-67(100)51-24-18-46(35-55(51)70(92)103)74(77(85,86)87,78(88,89)90)47-19-25-52-56(36-47)71(104)93(68(52)101)59-28-15-43(32-63(59)97)44-16-29-60(94-69(102)53-26-20-48(37-57(53)72(94)105)73(75(79,80)81,76(82,83)84)45-17-23-50-54(34-45)66(99)91(2)65(50)98)64(33-44)106-38-40-11-21-49(22-12-40)126-116-123(7)110-120(4)107-119(3)108-121(5,112-123)114-125(9,118-126)115-122(6,109-119)113-124(8,111-120)117-126/h10-37,95-97H,38H2,1-9H3
InChIKeySBPBRDJOKBVVMY-UHFFFAOYSA-N
MW1890.01 g/mol
LogP13.87
Rot. Bonds13

About 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione

5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 58657620) has the molecular formula C78H60F12N4O24Si8 and a molecular weight of 1890.01 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID58657620
Molecular FormulaC78H60F12N4O24Si8
Molecular Weight1890.01 g/mol
Exact Mass1888.16
IUPAC Name5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)c(OCc8ccc([Si]9%10O[Si]%11(C)O[Si]%12(C)O[Si]%13(C)O[Si](C)(O%11)O[Si](C)(O[Si](C)(O%13)O[Si](C)(O%12)O9)O%10)cc8)c7)cc5O)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(O)c2)cc1O
InChIInChI=1S/C78H60F12N4O24Si8/c1-39-10-13-41(30-61(39)95)42-14-27-58(62(96)31-42)92-67(100)51-24-18-46(35-55(51)70(92)103)74(77(85,86)87,78(88,89)90)47-19-25-52-56(36-47)71(104)93(68(52)101)59-28-15-43(32-63(59)97)44-16-29-60(94-69(102)53-26-20-48(37-57(53)72(94)105)73(75(79,80)81,76(82,83)84)45-17-23-50-54(34-45)66(99)91(2)65(50)98)64(33-44)106-38-40-11-21-49(22-12-40)126-116-123(7)110-120(4)107-119(3)108-121(5,112-123)114-125(9,118-126)115-122(6,109-119)113-124(8,111-120)117-126/h10-37,95-97H,38H2,1-9H3
InChIKeySBPBRDJOKBVVMY-UHFFFAOYSA-N
XLogP13.87
TPSA330.20 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001890.01
LogP ≤ 513.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-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

Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione (CID 58657620) is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione is Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)c(OCc8ccc([Si]9%10O[Si]%11(C)O[Si]%12(C)O[Si]%13(C)O[Si](C)(O%11)O[Si](C)(O[Si](C)(O%13)O[Si](C)(O%12)O9)O%10)cc8)c7)cc5O)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(O)c2)cc1O.
What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is SBPBRDJOKBVVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60F12N4O24Si8/c1-39-10-13-41(30-61(39)95)42-14-27-58(62(96)31-42)92-67(100)51-24-18-46(35-55(51)70(92)103)74(77(85,86)87,78(88,89)90)47-19-25-52-56(36-47)71(104)93(68(52)101)59-28-15-43(32-63(59)97)44-16-29-60(94-69(102)53-26-20-48(37-57(53)72(94)105)73(75(79,80)81,76(82,83)84)45-17-23-50-54(34-45)66(99)91(2)65(50)98)64(33-44)106-38-40-11-21-49(22-12-40)126-116-123(7)110-120(4)107-119(3)108-121(5,112-123)114-125(9,118-126)115-122(6,109-119)113-124(8,111-120)117-126/h10-37,95-97H,38H2,1-9H3.
What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1890.01 g/mol, XLogP of 13.87, 13 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[[4-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)phenyl]methoxy]-4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-hydroxy-4-(3-hydroxy-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-hydroxyphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58657620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).