3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine

C31H28N2 — CID 174582232

IUPAC3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine
SMILESCN(C)c1cc(N(Cc2cccc3ccccc23)c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C31H28N2/c1-32(2)31-22-28(20-21-30(31)25-12-5-3-6-13-25)33(27-17-7-4-8-18-27)23-26-16-11-15-24-14-9-10-19-29(24)26/h3-22H,23H2,1-2H3
InChIKeyPFVZKYORFHOVIB-UHFFFAOYSA-N
MW428.58 g/mol
LogP7.91
Rot. Bonds6

About 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine (PubChem CID 174582232) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine
PubChem CID174582232
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC Name3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine
SMILESCN(C)c1cc(N(Cc2cccc3ccccc23)c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C31H28N2/c1-32(2)31-22-28(20-21-30(31)25-12-5-3-6-13-25)33(27-17-7-4-8-18-27)23-26-16-11-15-24-14-9-10-19-29(24)26/h3-22H,23H2,1-2H3
InChIKeyPFVZKYORFHOVIB-UHFFFAOYSA-N
XLogP7.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-dimethyl-1-N-naphthalen-1-yl-1-N,4-diphenylbenzene-1,3-diamine;methane
CID 174429724
N-(naphthalen-1-ylmethyl)-N-phenylaniline
CID 11088172
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
N-(naphthalen-1-ylmethyl)-N-phenylhydroxylamine
CID 15217720
N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
CID 70877185
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine (CID 174582232) is 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine is CN(C)c1cc(N(Cc2cccc3ccccc23)c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine?
The InChIKey is PFVZKYORFHOVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2/c1-32(2)31-22-28(20-21-30(31)25-12-5-3-6-13-25)33(27-17-7-4-8-18-27)23-26-16-11-15-24-14-9-10-19-29(24)26/h3-22H,23H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine has a molecular weight of 428.58 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(naphthalen-1-ylmethyl)-1-N,4-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 174582232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).