N,N-bis(4-methylphenyl)-3-phenylaniline

C26H23N — CID 140818331

IUPACN,N-bis(4-methylphenyl)-3-phenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H23N/c1-20-11-15-24(16-12-20)27(25-17-13-21(2)14-18-25)26-10-6-9-23(19-26)22-7-4-3-5-8-22/h3-19H,1-2H3
InChIKeyUKYGGEOQKRPTSS-UHFFFAOYSA-N
MW349.48 g/mol
LogP7.44
Rot. Bonds4

About N,N-bis(4-methylphenyl)-3-phenylaniline

N,N-bis(4-methylphenyl)-3-phenylaniline (PubChem CID 140818331) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-3-phenylaniline
PubChem CID140818331
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC NameN,N-bis(4-methylphenyl)-3-phenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H23N/c1-20-11-15-24(16-12-20)27(25-17-13-21(2)14-18-25)26-10-6-9-23(19-26)22-7-4-3-5-8-22/h3-19H,1-2H3
InChIKeyUKYGGEOQKRPTSS-UHFFFAOYSA-N
XLogP7.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-3-phenylaniline?
The IUPAC name of N,N-bis(4-methylphenyl)-3-phenylaniline (CID 140818331) is N,N-bis(4-methylphenyl)-3-phenylaniline.
What is the SMILES notation for N,N-bis(4-methylphenyl)-3-phenylaniline?
The canonical SMILES for N,N-bis(4-methylphenyl)-3-phenylaniline is Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-3-phenylaniline?
The InChIKey is UKYGGEOQKRPTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-20-11-15-24(16-12-20)27(25-17-13-21(2)14-18-25)26-10-6-9-23(19-26)22-7-4-3-5-8-22/h3-19H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)-3-phenylaniline?
N,N-bis(4-methylphenyl)-3-phenylaniline has a molecular weight of 349.48 g/mol, XLogP of 7.44, 4 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)-3-phenylaniline is sourced from PubChem (CID 140818331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).