4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline

C44H30FNO — CID 70908841

IUPAC4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESFc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2c1
InChIInChI=1S/C44H30FNO/c45-35-25-28-43-34(29-35)30-44(47-43)33-21-19-31(20-22-33)39-15-7-9-17-41(39)42-18-10-8-16-40(42)32-23-26-38(27-24-32)46(36-11-3-1-4-12-36)37-13-5-2-6-14-37/h1-30H
InChIKeyHMOPONRFYTYVRJ-UHFFFAOYSA-N
MW607.73 g/mol
LogP12.71
Rot. Bonds7

About 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline

4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 70908841) has the molecular formula C44H30FNO and a molecular weight of 607.73 g/mol. Its IUPAC name is 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
PubChem CID70908841
Molecular FormulaC44H30FNO
Molecular Weight607.73 g/mol
Exact Mass607.23
IUPAC Name4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESFc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2c1
InChIInChI=1S/C44H30FNO/c45-35-25-28-43-34(29-35)30-44(47-43)33-21-19-31(20-22-33)39-15-7-9-17-41(39)42-18-10-8-16-40(42)32-23-26-38(27-24-32)46(36-11-3-1-4-12-36)37-13-5-2-6-14-37/h1-30H
InChIKeyHMOPONRFYTYVRJ-UHFFFAOYSA-N
XLogP12.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.73
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline (CID 70908841) is 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline is Fc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2c1.
What is the InChIKey of 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is HMOPONRFYTYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30FNO/c45-35-25-28-43-34(29-35)30-44(47-43)33-21-19-31(20-22-33)39-15-7-9-17-41(39)42-18-10-8-16-40(42)32-23-26-38(27-24-32)46(36-11-3-1-4-12-36)37-13-5-2-6-14-37/h1-30H.
What are the key properties of 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 607.73 g/mol, XLogP of 12.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 70908841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).