N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline

C41H34N2 — CID 145077482

IUPACN-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
SMILESCN(c1ccccc1)c1ccccc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C28H21N.C13H13N/c1-3-11-26(12-4-1)29(27-13-5-2-6-14-27)28-19-17-23(18-20-28)25-16-15-22-9-7-8-10-24(22)21-25;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h1-21H;2-11H,1H3
InChIKeyLAMMTZYLYUSDAQ-UHFFFAOYSA-N
MW554.74 g/mol
LogP11.43
Rot. Bonds6

About N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline

N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline (PubChem CID 145077482) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline.

Molecular Properties

Compound NameN-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
PubChem CID145077482
Molecular FormulaC41H34N2
Molecular Weight554.74 g/mol
Exact Mass554.27
IUPAC NameN-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
SMILESCN(c1ccccc1)c1ccccc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C28H21N.C13H13N/c1-3-11-26(12-4-1)29(27-13-5-2-6-14-27)28-19-17-23(18-20-28)25-16-15-22-9-7-8-10-24(22)21-25;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h1-21H;2-11H,1H3
InChIKeyLAMMTZYLYUSDAQ-UHFFFAOYSA-N
XLogP11.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
ethane;N-methyl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 143983755
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline?
The IUPAC name of N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline (CID 145077482) is N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline.
What is the SMILES notation for N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline?
The canonical SMILES for N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline is CN(c1ccccc1)c1ccccc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline?
The InChIKey is LAMMTZYLYUSDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N.C13H13N/c1-3-11-26(12-4-1)29(27-13-5-2-6-14-27)28-19-17-23(18-20-28)25-16-15-22-9-7-8-10-24(22)21-25;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h1-21H;2-11H,1H3.
What are the key properties of N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline?
N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline has a molecular weight of 554.74 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline is sourced from PubChem (CID 145077482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).