N-phenyl-1-phenylsulfanylnaphthalen-2-amine

C22H17NS — CID 132556912

IUPACN-phenyl-1-phenylsulfanylnaphthalen-2-amine
SMILESc1ccc(Nc2ccc3ccccc3c2Sc2ccccc2)cc1
InChIInChI=1S/C22H17NS/c1-3-10-18(11-4-1)23-21-16-15-17-9-7-8-14-20(17)22(21)24-19-12-5-2-6-13-19/h1-16,23H
InChIKeyVLNBXIONBQOVDQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP6.73
Rot. Bonds4

About N-phenyl-1-phenylsulfanylnaphthalen-2-amine

N-phenyl-1-phenylsulfanylnaphthalen-2-amine (PubChem CID 132556912) has the molecular formula C22H17NS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-phenyl-1-phenylsulfanylnaphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-1-phenylsulfanylnaphthalen-2-amine
PubChem CID132556912
Molecular FormulaC22H17NS
Molecular Weight327.45 g/mol
Exact Mass327.11
IUPAC NameN-phenyl-1-phenylsulfanylnaphthalen-2-amine
SMILESc1ccc(Nc2ccc3ccccc3c2Sc2ccccc2)cc1
InChIInChI=1S/C22H17NS/c1-3-10-18(11-4-1)23-21-16-15-17-9-7-8-14-20(17)22(21)24-19-12-5-2-6-13-19/h1-16,23H
InChIKeyVLNBXIONBQOVDQ-UHFFFAOYSA-N
XLogP6.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
2-phenoxy-1-phenylsulfanylnaphthalene
CID 134956285
1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
CID 12035327
1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine
CID 155614121
4-[(1-phenylnaphthalen-2-yl)amino]phenol
CID 67541341
2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline
CID 22136212
1-phenylsulfanylphenanthrene
CID 172559592
phenol;N-phenylnaphthalen-1-amine
CID 159146578
1-[2-(4-ethenylanilino)naphthalen-1-yl]-N-(4-ethenylphenyl)naphthalen-2-amine
CID 101144380
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
N-phenylphenanthren-2-amine
CID 23175030
2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 11251278

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-phenylsulfanylnaphthalen-2-amine?
The IUPAC name of N-phenyl-1-phenylsulfanylnaphthalen-2-amine (CID 132556912) is N-phenyl-1-phenylsulfanylnaphthalen-2-amine.
What is the SMILES notation for N-phenyl-1-phenylsulfanylnaphthalen-2-amine?
The canonical SMILES for N-phenyl-1-phenylsulfanylnaphthalen-2-amine is c1ccc(Nc2ccc3ccccc3c2Sc2ccccc2)cc1.
What is the InChIKey of N-phenyl-1-phenylsulfanylnaphthalen-2-amine?
The InChIKey is VLNBXIONBQOVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NS/c1-3-10-18(11-4-1)23-21-16-15-17-9-7-8-14-20(17)22(21)24-19-12-5-2-6-13-19/h1-16,23H.
What are the key properties of N-phenyl-1-phenylsulfanylnaphthalen-2-amine?
N-phenyl-1-phenylsulfanylnaphthalen-2-amine has a molecular weight of 327.45 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-phenylsulfanylnaphthalen-2-amine is sourced from PubChem (CID 132556912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).