4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

C38H32N2 — CID 640095

IUPAC4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H32N2/c1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h3-28H,1-2H3
InChIKeyUNZWWPCQEYRCMU-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.91
Rot. Bonds7

About 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 640095) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID640095
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H32N2/c1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h3-28H,1-2H3
InChIKeyUNZWWPCQEYRCMU-UHFFFAOYSA-N
XLogP10.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (CID 640095) is 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is UNZWWPCQEYRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h3-28H,1-2H3.
What are the key properties of 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 516.69 g/mol, XLogP of 10.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 640095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).