3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol

C36H28N2O2 — CID 14389071

IUPAC3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C36H28N2O2/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34/h1-26,39-40H
InChIKeyIJMQLOPGNQFHAR-UHFFFAOYSA-N
MW520.63 g/mol
LogP9.70
Rot. Bonds7

About 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol

3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol (PubChem CID 14389071) has the molecular formula C36H28N2O2 and a molecular weight of 520.63 g/mol. Its IUPAC name is 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol.

Molecular Properties

Compound Name3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol
PubChem CID14389071
Molecular FormulaC36H28N2O2
Molecular Weight520.63 g/mol
Exact Mass520.22
IUPAC Name3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C36H28N2O2/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34/h1-26,39-40H
InChIKeyIJMQLOPGNQFHAR-UHFFFAOYSA-N
XLogP9.70
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol?
The IUPAC name of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol (CID 14389071) is 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol.
What is the SMILES notation for 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol?
The canonical SMILES for 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol is Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(O)c4)cc3)cc2)c1.
What is the InChIKey of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol?
The InChIKey is IJMQLOPGNQFHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O2/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34/h1-26,39-40H.
What are the key properties of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol?
3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol has a molecular weight of 520.63 g/mol, XLogP of 9.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol is sourced from PubChem (CID 14389071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).