N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline

C31H25N — CID 58410428

IUPACN-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H25N/c1-24-15-19-29(20-16-24)32(30-21-17-27(18-22-30)25-9-4-2-5-10-25)31-14-8-13-28(23-31)26-11-6-3-7-12-26/h2-23H,1H3
InChIKeyHRNKOARJAGXHPP-UHFFFAOYSA-N
MW411.55 g/mol
LogP8.80
Rot. Bonds5

About N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline

N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 58410428) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID58410428
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC NameN-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H25N/c1-24-15-19-29(20-16-24)32(30-21-17-27(18-22-30)25-9-4-2-5-10-25)31-14-8-13-28(23-31)26-11-6-3-7-12-26/h2-23H,1H3
InChIKeyHRNKOARJAGXHPP-UHFFFAOYSA-N
XLogP8.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
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
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
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
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (CID 58410428) is N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HRNKOARJAGXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N/c1-24-15-19-29(20-16-24)32(30-21-17-27(18-22-30)25-9-4-2-5-10-25)31-14-8-13-28(23-31)26-11-6-3-7-12-26/h2-23H,1H3.
What are the key properties of N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 411.55 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 58410428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).