N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine

C23H19NS — CID 70891422

IUPACN-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
SMILESCSc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19NS/c1-25-23-15-13-21(14-16-23)24(20-9-3-2-4-10-20)22-12-11-18-7-5-6-8-19(18)17-22/h2-17H,1H3
InChIKeyIKGGKRLHVFLDJO-UHFFFAOYSA-N
MW341.48 g/mol
LogP7.03
Rot. Bonds4

About N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine

N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 70891422) has the molecular formula C23H19NS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID70891422
Molecular FormulaC23H19NS
Molecular Weight341.48 g/mol
Exact Mass341.12
IUPAC NameN-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
SMILESCSc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19NS/c1-25-23-15-13-21(14-16-23)24(20-9-3-2-4-10-20)22-12-11-18-7-5-6-8-19(18)17-22/h2-17H,1H3
InChIKeyIKGGKRLHVFLDJO-UHFFFAOYSA-N
XLogP7.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
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-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
4-(N-(4-methylsulfanylphenyl)anilino)benzenethiol
CID 139382124
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
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
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
CID 171727559

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine (CID 70891422) is N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine is CSc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is IKGGKRLHVFLDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NS/c1-25-23-15-13-21(14-16-23)24(20-9-3-2-4-10-20)22-12-11-18-7-5-6-8-19(18)17-22/h2-17H,1H3.
What are the key properties of N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine?
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 341.48 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 70891422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).