N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline

C36H24FNO — CID 118186809

IUPACN-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline
SMILESFc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc12
InChIInChI=1S/C36H24FNO/c37-29-16-22-34-33-21-15-28(23-35(33)39-36(34)24-29)27-13-19-32(20-14-27)38(30-9-5-2-6-10-30)31-17-11-26(12-18-31)25-7-3-1-4-8-25/h1-24H
InChIKeyCINLSUXUHNEFEU-UHFFFAOYSA-N
MW505.59 g/mol
LogP10.53
Rot. Bonds5

About N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline

N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline (PubChem CID 118186809) has the molecular formula C36H24FNO and a molecular weight of 505.59 g/mol. Its IUPAC name is N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline
PubChem CID118186809
Molecular FormulaC36H24FNO
Molecular Weight505.59 g/mol
Exact Mass505.18
IUPAC NameN-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline
SMILESFc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc12
InChIInChI=1S/C36H24FNO/c37-29-16-22-34-33-21-15-28(23-35(33)39-36(34)24-29)27-13-19-32(20-14-27)38(30-9-5-2-6-10-30)31-17-11-26(12-18-31)25-7-3-1-4-8-25/h1-24H
InChIKeyCINLSUXUHNEFEU-UHFFFAOYSA-N
XLogP10.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline (CID 118186809) is N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline is Fc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc12.
What is the InChIKey of N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is CINLSUXUHNEFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24FNO/c37-29-16-22-34-33-21-15-28(23-35(33)39-36(34)24-29)27-13-19-32(20-14-27)38(30-9-5-2-6-10-30)31-17-11-26(12-18-31)25-7-3-1-4-8-25/h1-24H.
What are the key properties of N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline?
N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline has a molecular weight of 505.59 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 118186809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).