3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol

C42H30F2N2O — CID 170046988

IUPAC3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol
SMILESOc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2cccc(-c3ccccc3F)c2)c2cccc(-c3ccccc3F)c2)c1
InChIInChI=1S/C42H30F2N2O/c43-41-23-9-7-21-39(41)30-13-11-19-34(25-30)46(35-20-12-14-31(26-35)40-22-8-10-24-42(40)44)37-27-36(28-38(47)29-37)45(32-15-3-1-4-16-32)33-17-5-2-6-18-33/h1-29,47H
InChIKeySXRDPVIALZRAAF-UHFFFAOYSA-N
MW616.71 g/mol
LogP11.94
Rot. Bonds8

About 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol

3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol (PubChem CID 170046988) has the molecular formula C42H30F2N2O and a molecular weight of 616.71 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol
PubChem CID170046988
Molecular FormulaC42H30F2N2O
Molecular Weight616.71 g/mol
Exact Mass616.23
IUPAC Name3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol
SMILESOc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2cccc(-c3ccccc3F)c2)c2cccc(-c3ccccc3F)c2)c1
InChIInChI=1S/C42H30F2N2O/c43-41-23-9-7-21-39(41)30-13-11-19-34(25-30)46(35-20-12-14-31(26-35)40-22-8-10-24-42(40)44)37-27-36(28-38(47)29-37)45(32-15-3-1-4-16-32)33-17-5-2-6-18-33/h1-29,47H
InChIKeySXRDPVIALZRAAF-UHFFFAOYSA-N
XLogP11.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.71
LogP ≤ 511.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol?
The IUPAC name of 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol (CID 170046988) is 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol?
The canonical SMILES for 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol is Oc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2cccc(-c3ccccc3F)c2)c2cccc(-c3ccccc3F)c2)c1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol?
The InChIKey is SXRDPVIALZRAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F2N2O/c43-41-23-9-7-21-39(41)30-13-11-19-34(25-30)46(35-20-12-14-31(26-35)40-22-8-10-24-42(40)44)37-27-36(28-38(47)29-37)45(32-15-3-1-4-16-32)33-17-5-2-6-18-33/h1-29,47H.
What are the key properties of 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol?
3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol has a molecular weight of 616.71 g/mol, XLogP of 11.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-N-[3-(2-fluorophenyl)phenyl]anilino]-5-(N-phenylanilino)phenol is sourced from PubChem (CID 170046988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).