2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol

C62H64N4O2S — CID 137287738

IUPAC2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol
SMILESCC(C)(C)c1cc(-c2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)sc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C62H64N4O2S/c1-59(2,3)43-33-41(34-44(53(43)67)60(4,5)6)47-48(42-35-45(61(7,8)9)54(68)46(36-42)62(10,11)12)56(58-65-51(39-29-21-15-22-30-39)52(66-58)40-31-23-16-24-32-40)69-55(47)57-63-49(37-25-17-13-18-26-37)50(64-57)38-27-19-14-20-28-38/h13-36,67-68H,1-12H3,(H,63,64)(H,65,66)
InChIKeyAJZWSGPGXSZICF-UHFFFAOYSA-N
MW929.29 g/mol
LogP17.13
Rot. Bonds8

About 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol

2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol (PubChem CID 137287738) has the molecular formula C62H64N4O2S and a molecular weight of 929.29 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol
PubChem CID137287738
Molecular FormulaC62H64N4O2S
Molecular Weight929.29 g/mol
Exact Mass928.47
IUPAC Name2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol
SMILESCC(C)(C)c1cc(-c2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)sc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C62H64N4O2S/c1-59(2,3)43-33-41(34-44(53(43)67)60(4,5)6)47-48(42-35-45(61(7,8)9)54(68)46(36-42)62(10,11)12)56(58-65-51(39-29-21-15-22-30-39)52(66-58)40-31-23-16-24-32-40)69-55(47)57-63-49(37-25-17-13-18-26-37)50(64-57)38-27-19-14-20-28-38/h13-36,67-68H,1-12H3,(H,63,64)(H,65,66)
InChIKeyAJZWSGPGXSZICF-UHFFFAOYSA-N
XLogP17.13
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.29
LogP ≤ 517.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

2-(5-phenyl-4-(thiophen-2-yl)-1H-imidazol-2-yl)phenol
CID 828875
CID 134958579
CID 134958579
2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol
CID 136715086
2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol
CID 136863835
4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol
CID 137287737
CID 137287739
CID 137287739
4-[2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-(4-hydroxyphenyl)phenyl]phenol
CID 137287747
Bis(2-(4,5-diphenyl-1h-imidazol-2-yl)phenoxy)cobalt
CID 137797695
bis(2-(1H-benzimidazol-2-yl)-4,6-ditert-butylphenol);hydrate
CID 139152324
LH.1Me2CO
CID 139155076
bis(2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol);oxolane
CID 139176132
1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol
CID 139199779

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol (CID 137287738) is 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol is CC(C)(C)c1cc(-c2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)sc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol?
The InChIKey is AJZWSGPGXSZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H64N4O2S/c1-59(2,3)43-33-41(34-44(53(43)67)60(4,5)6)47-48(42-35-45(61(7,8)9)54(68)46(36-42)62(10,11)12)56(58-65-51(39-29-21-15-22-30-39)52(66-58)40-31-23-16-24-32-40)69-55(47)57-63-49(37-25-17-13-18-26-37)50(64-57)38-27-19-14-20-28-38/h13-36,67-68H,1-12H3,(H,63,64)(H,65,66).
What are the key properties of 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol?
2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol has a molecular weight of 929.29 g/mol, XLogP of 17.13, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-bis(4,5-diphenyl-1H-imidazol-2-yl)thiophen-3-yl]phenol is sourced from PubChem (CID 137287738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).