2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole

C32H18F2N2O2 — CID 19759992

IUPAC2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
SMILESFc1ccc(-c2nc3ccc(-c4cccc(-c5ccc6nc(-c7ccc(F)cc7)oc6c5)c4)cc3o2)cc1
InChIInChI=1S/C32H18F2N2O2/c33-25-10-4-19(5-11-25)31-35-27-14-8-23(17-29(27)37-31)21-2-1-3-22(16-21)24-9-15-28-30(18-24)38-32(36-28)20-6-12-26(34)13-7-20/h1-18H
InChIKeyISUYCFWBBUODCC-UHFFFAOYSA-N
MW500.50 g/mol
LogP8.92
Rot. Bonds4

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

2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole (PubChem CID 19759992) has the molecular formula C32H18F2N2O2 and a molecular weight of 500.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
PubChem CID19759992
Molecular FormulaC32H18F2N2O2
Molecular Weight500.50 g/mol
Exact Mass500.13
IUPAC Name2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
SMILESFc1ccc(-c2nc3ccc(-c4cccc(-c5ccc6nc(-c7ccc(F)cc7)oc6c5)c4)cc3o2)cc1
InChIInChI=1S/C32H18F2N2O2/c33-25-10-4-19(5-11-25)31-35-27-14-8-23(17-29(27)37-31)21-2-1-3-22(16-21)24-9-15-28-30(18-24)38-32(36-28)20-6-12-26(34)13-7-20/h1-18H
InChIKeyISUYCFWBBUODCC-UHFFFAOYSA-N
XLogP8.92
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole (CID 19759992) is 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole is Fc1ccc(-c2nc3ccc(-c4cccc(-c5ccc6nc(-c7ccc(F)cc7)oc6c5)c4)cc3o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
The InChIKey is ISUYCFWBBUODCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F2N2O2/c33-25-10-4-19(5-11-25)31-35-27-14-8-23(17-29(27)37-31)21-2-1-3-22(16-21)24-9-15-28-30(18-24)38-32(36-28)20-6-12-26(34)13-7-20/h1-18H.
What are the key properties of 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole has a molecular weight of 500.50 g/mol, XLogP of 8.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 19759992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).