2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole

C43H27FN2O — CID 59228485

IUPAC2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1
InChIInChI=1S/C43H27FN2O/c44-31-23-26-42-39(27-31)45-43(47-42)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h1-27H
InChIKeyDNZKLYSFSVAPNE-UHFFFAOYSA-N
MW606.70 g/mol
LogP11.73
Rot. Bonds5

About 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole

2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole (PubChem CID 59228485) has the molecular formula C43H27FN2O and a molecular weight of 606.70 g/mol. Its IUPAC name is 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole
PubChem CID59228485
Molecular FormulaC43H27FN2O
Molecular Weight606.70 g/mol
Exact Mass606.21
IUPAC Name2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1
InChIInChI=1S/C43H27FN2O/c44-31-23-26-42-39(27-31)45-43(47-42)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h1-27H
InChIKeyDNZKLYSFSVAPNE-UHFFFAOYSA-N
XLogP11.73
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.70
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole (CID 59228485) is 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole is Fc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.
What is the InChIKey of 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
The InChIKey is DNZKLYSFSVAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27FN2O/c44-31-23-26-42-39(27-31)45-43(47-42)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h1-27H.
What are the key properties of 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole has a molecular weight of 606.70 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 59228485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).