2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol

C61H58F6N4O6 — CID 137273314

IUPAC2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol
SMILESCCCCN(CCCC)c1ccc(-c2cc3cc(-c4nc5cc(C(c6ccc7oc(-c8cc9cc(-c%10ccc(N(CCCC)CCCC)cc%10)oc9cc8O)nc7c6)(C(F)(F)F)C(F)(F)F)ccc5o4)c(O)cc3o2)cc1
InChIInChI=1S/C61H58F6N4O6/c1-5-9-25-70(26-10-6-2)43-19-13-37(14-20-43)53-31-39-29-45(49(72)35-55(39)74-53)57-68-47-33-41(17-23-51(47)76-57)59(60(62,63)64,61(65,66)67)42-18-24-52-48(34-42)69-58(77-52)46-30-40-32-54(75-56(40)36-50(46)73)38-15-21-44(22-16-38)71(27-11-7-3)28-12-8-4/h13-24,29-36,72-73H,5-12,25-28H2,1-4H3
InChIKeyRVONVJKPEZWUGT-UHFFFAOYSA-N
MW1057.14 g/mol
LogP17.76
Rot. Bonds20

About 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol

2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol (PubChem CID 137273314) has the molecular formula C61H58F6N4O6 and a molecular weight of 1057.14 g/mol. Its IUPAC name is 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol
PubChem CID137273314
Molecular FormulaC61H58F6N4O6
Molecular Weight1057.14 g/mol
Exact Mass1056.43
IUPAC Name2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol
SMILESCCCCN(CCCC)c1ccc(-c2cc3cc(-c4nc5cc(C(c6ccc7oc(-c8cc9cc(-c%10ccc(N(CCCC)CCCC)cc%10)oc9cc8O)nc7c6)(C(F)(F)F)C(F)(F)F)ccc5o4)c(O)cc3o2)cc1
InChIInChI=1S/C61H58F6N4O6/c1-5-9-25-70(26-10-6-2)43-19-13-37(14-20-43)53-31-39-29-45(49(72)35-55(39)74-53)57-68-47-33-41(17-23-51(47)76-57)59(60(62,63)64,61(65,66)67)42-18-24-52-48(34-42)69-58(77-52)46-30-40-32-54(75-56(40)36-50(46)73)38-15-21-44(22-16-38)71(27-11-7-3)28-12-8-4/h13-24,29-36,72-73H,5-12,25-28H2,1-4H3
InChIKeyRVONVJKPEZWUGT-UHFFFAOYSA-N
XLogP17.76
TPSA125.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.14
LogP ≤ 517.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol?
The IUPAC name of 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol (CID 137273314) is 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol.
What is the SMILES notation for 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol?
The canonical SMILES for 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol is CCCCN(CCCC)c1ccc(-c2cc3cc(-c4nc5cc(C(c6ccc7oc(-c8cc9cc(-c%10ccc(N(CCCC)CCCC)cc%10)oc9cc8O)nc7c6)(C(F)(F)F)C(F)(F)F)ccc5o4)c(O)cc3o2)cc1.
What is the InChIKey of 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol?
The InChIKey is RVONVJKPEZWUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H58F6N4O6/c1-5-9-25-70(26-10-6-2)43-19-13-37(14-20-43)53-31-39-29-45(49(72)35-55(39)74-53)57-68-47-33-41(17-23-51(47)76-57)59(60(62,63)64,61(65,66)67)42-18-24-52-48(34-42)69-58(77-52)46-30-40-32-54(75-56(40)36-50(46)73)38-15-21-44(22-16-38)71(27-11-7-3)28-12-8-4/h13-24,29-36,72-73H,5-12,25-28H2,1-4H3.
What are the key properties of 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol?
2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol has a molecular weight of 1057.14 g/mol, XLogP of 17.76, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dibutylamino)phenyl]-5-[5-[2-[2-[2-[4-(dibutylamino)phenyl]-6-hydroxy-1-benzofuran-5-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]-1-benzofuran-6-ol is sourced from PubChem (CID 137273314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).