3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C32H28N2 — CID 54226446

IUPAC3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESCc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C32H28N2/c1-25-21-22-32(26(2)23-25)34(29-17-10-5-11-18-29)31-20-12-19-30(24-31)33(27-13-6-3-7-14-27)28-15-8-4-9-16-28/h3-24H,1-2H3
InChIKeyQGESMAVJNCFJCZ-UHFFFAOYSA-N
MW440.59 g/mol
LogP9.24
Rot. Bonds6

About 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 54226446) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID54226446
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESCc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C32H28N2/c1-25-21-22-32(26(2)23-25)34(29-17-10-5-11-18-29)31-20-12-19-30(24-31)33(27-13-6-3-7-14-27)28-15-8-4-9-16-28/h3-24H,1-2H3
InChIKeyQGESMAVJNCFJCZ-UHFFFAOYSA-N
XLogP9.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
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-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
CID 20580195
2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 58932053
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
3-N-[4-[4-(N-[3-(diethylamino)phenyl]-4-methylanilino)-3-methylphenyl]-2-methylphenyl]-1-N,1-N-diethyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 20761203

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 54226446) is 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is Cc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c(C)c1.
What is the InChIKey of 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is QGESMAVJNCFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-25-21-22-32(26(2)23-25)34(29-17-10-5-11-18-29)31-20-12-19-30(24-31)33(27-13-6-3-7-14-27)28-15-8-4-9-16-28/h3-24H,1-2H3.
What are the key properties of 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 440.59 g/mol, XLogP of 9.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 54226446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).