3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol

C24H20N2O2S — CID 139928207

IUPAC3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol
SMILESNc1ccc(Sc2ccc(N)c(-c3ccccc3)c2O)c(O)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2S/c25-17-11-13-19(23(27)21(17)15-7-3-1-4-8-15)29-20-14-12-18(26)22(24(20)28)16-9-5-2-6-10-16/h1-14,27-28H,25-26H2
InChIKeyVIMXYNKMUNSNKN-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.75
Rot. Bonds4

About 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol

3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol (PubChem CID 139928207) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol.

Molecular Properties

Compound Name3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol
PubChem CID139928207
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol
SMILESNc1ccc(Sc2ccc(N)c(-c3ccccc3)c2O)c(O)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2S/c25-17-11-13-19(23(27)21(17)15-7-3-1-4-8-15)29-20-14-12-18(26)22(24(20)28)16-9-5-2-6-10-16/h1-14,27-28H,25-26H2
InChIKeyVIMXYNKMUNSNKN-UHFFFAOYSA-N
XLogP5.75
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
(4-amino-2,3-diphenylphenyl)-phenylmethanone
CID 70223924
7-amino-8-phenylnaphthalen-2-ol
CID 115057649
3-amino-2-phenylphenol;2-phenylphenol
CID 67542566
1-amino-5,8-dihydroxy-4-phenylsulfanylanthracene-9,10-dione
CID 70542073
6-amino-2-methyl-3-phenylphenol
CID 175328726
4,5-diamino-2,3-diphenylphenol
CID 154143783
4,8-diamino-1,5-dihydroxy-2,6-bis(phenylsulfanyl)anthracene-9,10-dione
CID 163939420
2-(2-amino-4-phenylphenyl)sulfanylbenzoic acid
CID 22145435
(4-amino-2,3-diphenylanilino)phosphonic acid
CID 175850211
3-butyl-4-methyl-2-phenylaniline
CID 22762469
2,4-dimethoxy-3-phenylaniline
CID 165495221

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol?
The IUPAC name of 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol (CID 139928207) is 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol.
What is the SMILES notation for 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol?
The canonical SMILES for 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol is Nc1ccc(Sc2ccc(N)c(-c3ccccc3)c2O)c(O)c1-c1ccccc1.
What is the InChIKey of 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol?
The InChIKey is VIMXYNKMUNSNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c25-17-11-13-19(23(27)21(17)15-7-3-1-4-8-15)29-20-14-12-18(26)22(24(20)28)16-9-5-2-6-10-16/h1-14,27-28H,25-26H2.
What are the key properties of 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol?
3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol has a molecular weight of 400.50 g/mol, XLogP of 5.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol is sourced from PubChem (CID 139928207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).