4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole

C43H27FN2O — CID 59228616

IUPAC4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESFc1cccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12
InChIInChI=1S/C43H27FN2O/c44-38-18-10-20-41-42(38)45-43(47-41)29-23-21-28(22-24-29)32-13-4-6-15-34(32)35-16-7-5-14-33(35)30-25-26-40-37(27-30)36-17-8-9-19-39(36)46(40)31-11-2-1-3-12-31/h1-27H
InChIKeyVEMLYDJQXOOBDJ-UHFFFAOYSA-N
MW606.70 g/mol
LogP11.73
Rot. Bonds5

About 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole

4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole (PubChem CID 59228616) has the molecular formula C43H27FN2O and a molecular weight of 606.70 g/mol. Its IUPAC name is 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
PubChem CID59228616
Molecular FormulaC43H27FN2O
Molecular Weight606.70 g/mol
Exact Mass606.21
IUPAC Name4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESFc1cccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12
InChIInChI=1S/C43H27FN2O/c44-38-18-10-20-41-42(38)45-43(47-41)29-23-21-28(22-24-29)32-13-4-6-15-34(32)35-16-7-5-14-33(35)30-25-26-40-37(27-30)36-17-8-9-19-39(36)46(40)31-11-2-1-3-12-31/h1-27H
InChIKeyVEMLYDJQXOOBDJ-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 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole (CID 59228616) is 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole is Fc1cccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12.
What is the InChIKey of 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is VEMLYDJQXOOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27FN2O/c44-38-18-10-20-41-42(38)45-43(47-41)29-23-21-28(22-24-29)32-13-4-6-15-34(32)35-16-7-5-14-33(35)30-25-26-40-37(27-30)36-17-8-9-19-39(36)46(40)31-11-2-1-3-12-31/h1-27H.
What are the key properties of 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-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 4-fluoro-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).