2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

C58H38F3N3O4 — CID 58554697

IUPAC2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESCc1ccc(-c2ccc(-c3cc4ccc(C(C)(c5ccc6nc(-c7ccc(-c8ccc(-c9nc%10cc(-c%11ccc%12oc(C)nc%12c%11)ccc%10o9)cc8)cc7)oc6c5)C(F)(F)F)cc4o3)cc2)cc1
InChIInChI=1S/C58H38F3N3O4/c1-33-4-6-35(7-5-33)36-8-14-39(15-9-36)52-30-44-20-23-45(31-53(44)66-52)57(3,58(59,60)61)46-24-25-47-54(32-46)68-55(63-47)40-16-10-37(11-17-40)38-12-18-41(19-13-38)56-64-49-29-43(22-27-51(49)67-56)42-21-26-50-48(28-42)62-34(2)65-50/h4-32H,1-3H3
InChIKeyDWNXLYZCIXRDTL-UHFFFAOYSA-N
MW897.95 g/mol
LogP16.34
Rot. Bonds8

About 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (PubChem CID 58554697) has the molecular formula C58H38F3N3O4 and a molecular weight of 897.95 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
PubChem CID58554697
Molecular FormulaC58H38F3N3O4
Molecular Weight897.95 g/mol
Exact Mass897.28
IUPAC Name2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESCc1ccc(-c2ccc(-c3cc4ccc(C(C)(c5ccc6nc(-c7ccc(-c8ccc(-c9nc%10cc(-c%11ccc%12oc(C)nc%12c%11)ccc%10o9)cc8)cc7)oc6c5)C(F)(F)F)cc4o3)cc2)cc1
InChIInChI=1S/C58H38F3N3O4/c1-33-4-6-35(7-5-33)36-8-14-39(15-9-36)52-30-44-20-23-45(31-53(44)66-52)57(3,58(59,60)61)46-24-25-47-54(32-46)68-55(63-47)40-16-10-37(11-17-40)38-12-18-41(19-13-38)56-64-49-29-43(22-27-51(49)67-56)42-21-26-50-48(28-42)62-34(2)65-50/h4-32H,1-3H3
InChIKeyDWNXLYZCIXRDTL-UHFFFAOYSA-N
XLogP16.34
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.95
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (CID 58554697) is 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is Cc1ccc(-c2ccc(-c3cc4ccc(C(C)(c5ccc6nc(-c7ccc(-c8ccc(-c9nc%10cc(-c%11ccc%12oc(C)nc%12c%11)ccc%10o9)cc8)cc7)oc6c5)C(F)(F)F)cc4o3)cc2)cc1.
What is the InChIKey of 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The InChIKey is DWNXLYZCIXRDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38F3N3O4/c1-33-4-6-35(7-5-33)36-8-14-39(15-9-36)52-30-44-20-23-45(31-53(44)66-52)57(3,58(59,60)61)46-24-25-47-54(32-46)68-55(63-47)40-16-10-37(11-17-40)38-12-18-41(19-13-38)56-64-49-29-43(22-27-51(49)67-56)42-21-26-50-48(28-42)62-34(2)65-50/h4-32H,1-3H3.
What are the key properties of 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole has a molecular weight of 897.95 g/mol, XLogP of 16.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 58554697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).