2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine

C48H30FNO — CID 140939327

IUPAC2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine
SMILESFc1cccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2ccc(-c4cccc(-c5ccccc5)n4)cc2)c2c3oc3ccccc32)c1
InChIInChI=1S/C48H30FNO/c49-36-18-11-17-35(29-36)48(34-15-5-2-6-16-34)40-21-9-7-19-37(40)46-41(48)30-39(45-38-20-8-10-24-44(38)51-47(45)46)31-25-27-33(28-26-31)43-23-12-22-42(50-43)32-13-3-1-4-14-32/h1-30H
InChIKeyPNECOZBJEKNCGM-UHFFFAOYSA-N
MW655.77 g/mol
LogP12.48
Rot. Bonds5

About 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine

2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine (PubChem CID 140939327) has the molecular formula C48H30FNO and a molecular weight of 655.77 g/mol. Its IUPAC name is 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine
PubChem CID140939327
Molecular FormulaC48H30FNO
Molecular Weight655.77 g/mol
Exact Mass655.23
IUPAC Name2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine
SMILESFc1cccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2ccc(-c4cccc(-c5ccccc5)n4)cc2)c2c3oc3ccccc32)c1
InChIInChI=1S/C48H30FNO/c49-36-18-11-17-35(29-36)48(34-15-5-2-6-16-34)40-21-9-7-19-37(40)46-41(48)30-39(45-38-20-8-10-24-44(38)51-47(45)46)31-25-27-33(28-26-31)43-23-12-22-42(50-43)32-13-3-1-4-14-32/h1-30H
InChIKeyPNECOZBJEKNCGM-UHFFFAOYSA-N
XLogP12.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.77
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine?
The IUPAC name of 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine (CID 140939327) is 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine.
What is the SMILES notation for 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine?
The canonical SMILES for 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine is Fc1cccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2ccc(-c4cccc(-c5ccccc5)n4)cc2)c2c3oc3ccccc32)c1.
What is the InChIKey of 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine?
The InChIKey is PNECOZBJEKNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FNO/c49-36-18-11-17-35(29-36)48(34-15-5-2-6-16-34)40-21-9-7-19-37(40)46-41(48)30-39(45-38-20-8-10-24-44(38)51-47(45)46)31-25-27-33(28-26-31)43-23-12-22-42(50-43)32-13-3-1-4-14-32/h1-30H.
What are the key properties of 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine?
2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine has a molecular weight of 655.77 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(3-fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine is sourced from PubChem (CID 140939327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).