3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene

C57H68O2 — CID 129210909

IUPAC3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene
SMILESCOc1c(-c2ccc(C(C)(C)C)cc2)cc(C(C)(C)c2cc(-c3ccc(C(C)(C)C)cc3)c(OC)c(-c3c(C)c(C)cc(C)c3C)c2)cc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C57H68O2/c1-33-27-34(2)38(6)51(37(33)5)49-31-45(29-47(53(49)58-17)41-19-23-43(24-20-41)55(9,10)11)57(15,16)46-30-48(42-21-25-44(26-22-42)56(12,13)14)54(59-18)50(32-46)52-39(7)35(3)28-36(4)40(52)8/h19-32H,1-18H3
InChIKeyZGEVXALGJZZYSG-UHFFFAOYSA-N
MW785.17 g/mol
LogP15.76
Rot. Bonds8

About 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene

3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene (PubChem CID 129210909) has the molecular formula C57H68O2 and a molecular weight of 785.17 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene
PubChem CID129210909
Molecular FormulaC57H68O2
Molecular Weight785.17 g/mol
Exact Mass784.52
IUPAC Name3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene
SMILESCOc1c(-c2ccc(C(C)(C)C)cc2)cc(C(C)(C)c2cc(-c3ccc(C(C)(C)C)cc3)c(OC)c(-c3c(C)c(C)cc(C)c3C)c2)cc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C57H68O2/c1-33-27-34(2)38(6)51(37(33)5)49-31-45(29-47(53(49)58-17)41-19-23-43(24-20-41)55(9,10)11)57(15,16)46-30-48(42-21-25-44(26-22-42)56(12,13)14)54(59-18)50(32-46)52-39(7)35(3)28-36(4)40(52)8/h19-32H,1-18H3
InChIKeyZGEVXALGJZZYSG-UHFFFAOYSA-N
XLogP15.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.17
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene (CID 129210909) is 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene is COc1c(-c2ccc(C(C)(C)C)cc2)cc(C(C)(C)c2cc(-c3ccc(C(C)(C)C)cc3)c(OC)c(-c3c(C)c(C)cc(C)c3C)c2)cc1-c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is ZGEVXALGJZZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68O2/c1-33-27-34(2)38(6)51(37(33)5)49-31-45(29-47(53(49)58-17)41-19-23-43(24-20-41)55(9,10)11)57(15,16)46-30-48(42-21-25-44(26-22-42)56(12,13)14)54(59-18)50(32-46)52-39(7)35(3)28-36(4)40(52)8/h19-32H,1-18H3.
What are the key properties of 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene?
3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 785.17 g/mol, XLogP of 15.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 129210909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).