5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

C32H26N2O2 — CID 78410911

IUPAC5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
SMILESCCc1ccc2oc(-c3ccc(C=Cc4ccc(-c5nc6cc(CC)ccc6o5)cc4)cc3)nc2c1
InChIInChI=1S/C32H26N2O2/c1-3-21-11-17-29-27(19-21)33-31(35-29)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-34-28-20-22(4-2)12-18-30(28)36-32/h5-20H,3-4H2,1-2H3
InChIKeyHKBGSSCSIKGLCB-UHFFFAOYSA-N
MW470.57 g/mol
LogP8.60
Rot. Bonds6

About 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole (PubChem CID 78410911) has the molecular formula C32H26N2O2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
PubChem CID78410911
Molecular FormulaC32H26N2O2
Molecular Weight470.57 g/mol
Exact Mass470.20
IUPAC Name5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
SMILESCCc1ccc2oc(-c3ccc(C=Cc4ccc(-c5nc6cc(CC)ccc6o5)cc4)cc3)nc2c1
InChIInChI=1S/C32H26N2O2/c1-3-21-11-17-29-27(19-21)33-31(35-29)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-34-28-20-22(4-2)12-18-30(28)36-32/h5-20H,3-4H2,1-2H3
InChIKeyHKBGSSCSIKGLCB-UHFFFAOYSA-N
XLogP8.60
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole (CID 78410911) is 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole is CCc1ccc2oc(-c3ccc(C=Cc4ccc(-c5nc6cc(CC)ccc6o5)cc4)cc3)nc2c1.
What is the InChIKey of 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The InChIKey is HKBGSSCSIKGLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O2/c1-3-21-11-17-29-27(19-21)33-31(35-29)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-34-28-20-22(4-2)12-18-30(28)36-32/h5-20H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole has a molecular weight of 470.57 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 78410911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).