2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline

C32H29NS — CID 155065441

IUPAC2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline
SMILESCc1cccc(C)c1Nc1ccc(S(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H29NS/c1-25-13-12-14-26(2)32(25)33-27-21-23-31(24-22-27)34(28-15-6-3-7-16-28,29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-24,33H,1-2H3
InChIKeyHFABTQARFKGTGZ-UHFFFAOYSA-N
MW459.66 g/mol
LogP9.39
Rot. Bonds6

About 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline

2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline (PubChem CID 155065441) has the molecular formula C32H29NS and a molecular weight of 459.66 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline
PubChem CID155065441
Molecular FormulaC32H29NS
Molecular Weight459.66 g/mol
Exact Mass459.20
IUPAC Name2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline
SMILESCc1cccc(C)c1Nc1ccc(S(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H29NS/c1-25-13-12-14-26(2)32(25)33-27-21-23-31(24-22-27)34(28-15-6-3-7-16-28,29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-24,33H,1-2H3
InChIKeyHFABTQARFKGTGZ-UHFFFAOYSA-N
XLogP9.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.66
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
3-methyl-2-(4-methylsulfonylanilino)benzenecarbothioamide
CID 107107793
N-(2-anilino-6-methylphenyl)hydroxylamine
CID 88948360
3-(2,6-dimethylanilino)phenol
CID 53407688
4-(2-methylanilino)benzenesulfonic acid
CID 53426443
1-[4-(2,6-dimethylanilino)phenyl]-3-propan-2-ylurea
CID 112986426
2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
2,3-dimethyl-N-phenylaniline
CID 14952469
4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine
CID 82292814

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline (CID 155065441) is 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline is Cc1cccc(C)c1Nc1ccc(S(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline?
The InChIKey is HFABTQARFKGTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NS/c1-25-13-12-14-26(2)32(25)33-27-21-23-31(24-22-27)34(28-15-6-3-7-16-28,29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-24,33H,1-2H3.
What are the key properties of 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline?
2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline has a molecular weight of 459.66 g/mol, XLogP of 9.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]aniline is sourced from PubChem (CID 155065441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).