2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole

C28H18N2O2 — CID 54326795

IUPAC2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole
SMILESc1ccc(C(=C(c2ccccc2)c2nc3ccccc3o2)c2nc3ccccc3o2)cc1
InChIInChI=1S/C28H18N2O2/c1-3-11-19(12-4-1)25(27-29-21-15-7-9-17-23(21)31-27)26(20-13-5-2-6-14-20)28-30-22-16-8-10-18-24(22)32-28/h1-18H
InChIKeySVNDCMCAPDWHPV-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.98
Rot. Bonds4

About 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole

2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole (PubChem CID 54326795) has the molecular formula C28H18N2O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole
PubChem CID54326795
Molecular FormulaC28H18N2O2
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC Name2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole
SMILESc1ccc(C(=C(c2ccccc2)c2nc3ccccc3o2)c2nc3ccccc3o2)cc1
InChIInChI=1S/C28H18N2O2/c1-3-11-19(12-4-1)25(27-29-21-15-7-9-17-23(21)31-27)26(20-13-5-2-6-14-20)28-30-22-16-8-10-18-24(22)32-28/h1-18H
InChIKeySVNDCMCAPDWHPV-UHFFFAOYSA-N
XLogP6.98
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.98
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 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole (CID 54326795) is 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole is c1ccc(C(=C(c2ccccc2)c2nc3ccccc3o2)c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole?
The InChIKey is SVNDCMCAPDWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O2/c1-3-11-19(12-4-1)25(27-29-21-15-7-9-17-23(21)31-27)26(20-13-5-2-6-14-20)28-30-22-16-8-10-18-24(22)32-28/h1-18H.
What are the key properties of 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole?
2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole has a molecular weight of 414.46 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yl)-1,2-diphenylethenyl]-1,3-benzoxazole is sourced from PubChem (CID 54326795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).