6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole

C48H52N2O4 — CID 20612821

IUPAC6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole
SMILESCCC(C)COc1cc2oc(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C(C)C)c(OCC(C)CC)cc7o6)cc5)cc4)cc3)nc2cc1C(C)C
InChIInChI=1S/C48H52N2O4/c1-9-31(7)27-51-43-25-45-41(23-39(43)29(3)4)49-47(53-45)37-19-15-35(16-20-37)33-11-13-34(14-12-33)36-17-21-38(22-18-36)48-50-42-24-40(30(5)6)44(26-46(42)54-48)52-28-32(8)10-2/h11-26,29-32H,9-10,27-28H2,1-8H3
InChIKeyDXZXULDDVQHOOM-UHFFFAOYSA-N
MW720.95 g/mol
LogP13.73
Rot. Bonds14

About 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole

6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole (PubChem CID 20612821) has the molecular formula C48H52N2O4 and a molecular weight of 720.95 g/mol. Its IUPAC name is 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole
PubChem CID20612821
Molecular FormulaC48H52N2O4
Molecular Weight720.95 g/mol
Exact Mass720.39
IUPAC Name6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole
SMILESCCC(C)COc1cc2oc(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C(C)C)c(OCC(C)CC)cc7o6)cc5)cc4)cc3)nc2cc1C(C)C
InChIInChI=1S/C48H52N2O4/c1-9-31(7)27-51-43-25-45-41(23-39(43)29(3)4)49-47(53-45)37-19-15-35(16-20-37)33-11-13-34(14-12-33)36-17-21-38(22-18-36)48-50-42-24-40(30(5)6)44(26-46(42)54-48)52-28-32(8)10-2/h11-26,29-32H,9-10,27-28H2,1-8H3
InChIKeyDXZXULDDVQHOOM-UHFFFAOYSA-N
XLogP13.73
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.95
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole (CID 20612821) is 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole is CCC(C)COc1cc2oc(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C(C)C)c(OCC(C)CC)cc7o6)cc5)cc4)cc3)nc2cc1C(C)C.
What is the InChIKey of 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole?
The InChIKey is DXZXULDDVQHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N2O4/c1-9-31(7)27-51-43-25-45-41(23-39(43)29(3)4)49-47(53-45)37-19-15-35(16-20-37)33-11-13-34(14-12-33)36-17-21-38(22-18-36)48-50-42-24-40(30(5)6)44(26-46(42)54-48)52-28-32(8)10-2/h11-26,29-32H,9-10,27-28H2,1-8H3.
What are the key properties of 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole?
6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole has a molecular weight of 720.95 g/mol, XLogP of 13.73, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 20612821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).