3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline

C38H32N2O2 — CID 10768984

IUPAC3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)cc2)c1
InChIInChI=1S/C38H32N2O2/c1-41-37-17-9-15-35(27-37)39(31-11-5-3-6-12-31)33-23-19-29(20-24-33)30-21-25-34(26-22-30)40(32-13-7-4-8-14-32)36-16-10-18-38(28-36)42-2/h3-28H,1-2H3
InChIKeyBELZNVWOTRMVFA-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.31
Rot. Bonds9

About 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline

3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 10768984) has the molecular formula C38H32N2O2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID10768984
Molecular FormulaC38H32N2O2
Molecular Weight548.69 g/mol
Exact Mass548.25
IUPAC Name3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)cc2)c1
InChIInChI=1S/C38H32N2O2/c1-41-37-17-9-15-35(27-37)39(31-11-5-3-6-12-31)33-23-19-29(20-24-33)30-21-25-34(26-22-30)40(32-13-7-4-8-14-32)36-16-10-18-38(28-36)42-2/h3-28H,1-2H3
InChIKeyBELZNVWOTRMVFA-UHFFFAOYSA-N
XLogP10.31
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline (CID 10768984) is 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline is COc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is BELZNVWOTRMVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O2/c1-41-37-17-9-15-35(27-37)39(31-11-5-3-6-12-31)33-23-19-29(20-24-33)30-21-25-34(26-22-30)40(32-13-7-4-8-14-32)36-16-10-18-38(28-36)42-2/h3-28H,1-2H3.
What are the key properties of 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 548.69 g/mol, XLogP of 10.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 10768984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).