N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline

C44H35N — CID 170047291

IUPACN,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C44H35N/c1-32-19-23-42(24-20-32)45(43-25-21-33(2)22-26-43)44-30-40(38-17-9-15-36(27-38)34-11-5-3-6-12-34)29-41(31-44)39-18-10-16-37(28-39)35-13-7-4-8-14-35/h3-31H,1-2H3
InChIKeyLUGUEPGTOHORAK-UHFFFAOYSA-N
MW577.77 g/mol
LogP12.44
Rot. Bonds7

About N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline

N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline (PubChem CID 170047291) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
PubChem CID170047291
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC NameN,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C44H35N/c1-32-19-23-42(24-20-32)45(43-25-21-33(2)22-26-43)44-30-40(38-17-9-15-36(27-38)34-11-5-3-6-12-34)29-41(31-44)39-18-10-16-37(28-39)35-13-7-4-8-14-35/h3-31H,1-2H3
InChIKeyLUGUEPGTOHORAK-UHFFFAOYSA-N
XLogP12.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086
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-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-(4-methylphenyl)phenyl]benzene-1,3,5-triamine
CID 161439793
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
5-(4-methylphenyl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 121295814
ethane;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158849032
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline?
The IUPAC name of N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline (CID 170047291) is N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline?
The InChIKey is LUGUEPGTOHORAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-32-19-23-42(24-20-32)45(43-25-21-33(2)22-26-43)44-30-40(38-17-9-15-36(27-38)34-11-5-3-6-12-34)29-41(31-44)39-18-10-16-37(28-39)35-13-7-4-8-14-35/h3-31H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline?
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline has a molecular weight of 577.77 g/mol, XLogP of 12.44, 7 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)-3,5-bis(3-phenylphenyl)aniline is sourced from PubChem (CID 170047291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).