2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole

C31H19FN2O — CID 59228109

IUPAC2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole
SMILESFc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12
InChIInChI=1S/C31H19FN2O/c32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34/h1-19H
InChIKeyRPROVVYBCHEIIV-UHFFFAOYSA-N
MW454.50 g/mol
LogP8.40
Rot. Bonds3

About 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole

2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole (PubChem CID 59228109) has the molecular formula C31H19FN2O and a molecular weight of 454.50 g/mol. Its IUPAC name is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole
PubChem CID59228109
Molecular FormulaC31H19FN2O
Molecular Weight454.50 g/mol
Exact Mass454.15
IUPAC Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole
SMILESFc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12
InChIInChI=1S/C31H19FN2O/c32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34/h1-19H
InChIKeyRPROVVYBCHEIIV-UHFFFAOYSA-N
XLogP8.40
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole?
The IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole (CID 59228109) is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole is Fc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.
What is the InChIKey of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole?
The InChIKey is RPROVVYBCHEIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19FN2O/c32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34/h1-19H.
What are the key properties of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole?
2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole has a molecular weight of 454.50 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole is sourced from PubChem (CID 59228109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).