N,N-bis(4-methylphenyl)-2,4-diphenylaniline

C32H27N — CID 22899750

IUPACN,N-bis(4-methylphenyl)-2,4-diphenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C32H27N/c1-24-13-18-29(19-14-24)33(30-20-15-25(2)16-21-30)32-22-17-28(26-9-5-3-6-10-26)23-31(32)27-11-7-4-8-12-27/h3-23H,1-2H3
InChIKeyVOQNETSUJCSYKB-UHFFFAOYSA-N
MW425.58 g/mol
LogP9.11
Rot. Bonds5

About N,N-bis(4-methylphenyl)-2,4-diphenylaniline

N,N-bis(4-methylphenyl)-2,4-diphenylaniline (PubChem CID 22899750) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-2,4-diphenylaniline.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-2,4-diphenylaniline
PubChem CID22899750
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC NameN,N-bis(4-methylphenyl)-2,4-diphenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C32H27N/c1-24-13-18-29(19-14-24)33(30-20-15-25(2)16-21-30)32-22-17-28(26-9-5-3-6-10-26)23-31(32)27-11-7-4-8-12-27/h3-23H,1-2H3
InChIKeyVOQNETSUJCSYKB-UHFFFAOYSA-N
XLogP9.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane
CID 170567518
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-2,4-diphenylaniline?
The IUPAC name of N,N-bis(4-methylphenyl)-2,4-diphenylaniline (CID 22899750) is N,N-bis(4-methylphenyl)-2,4-diphenylaniline.
What is the SMILES notation for N,N-bis(4-methylphenyl)-2,4-diphenylaniline?
The canonical SMILES for N,N-bis(4-methylphenyl)-2,4-diphenylaniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-2,4-diphenylaniline?
The InChIKey is VOQNETSUJCSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c1-24-13-18-29(19-14-24)33(30-20-15-25(2)16-21-30)32-22-17-28(26-9-5-3-6-10-26)23-31(32)27-11-7-4-8-12-27/h3-23H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)-2,4-diphenylaniline?
N,N-bis(4-methylphenyl)-2,4-diphenylaniline has a molecular weight of 425.58 g/mol, XLogP of 9.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-2,4-diphenylaniline is sourced from PubChem (CID 22899750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).