3-[2,3-bis(3-aminophenyl)phenyl]phenol

C24H20N2O — CID 139931818

IUPAC3-[2,3-bis(3-aminophenyl)phenyl]phenol
SMILESNc1cccc(-c2cccc(-c3cccc(O)c3)c2-c2cccc(N)c2)c1
InChIInChI=1S/C24H20N2O/c25-19-8-1-5-16(13-19)22-11-4-12-23(17-6-3-10-21(27)15-17)24(22)18-7-2-9-20(26)14-18/h1-15,27H,25-26H2
InChIKeyKKVSINGUHBVXAH-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.56
Rot. Bonds3

About 3-[2,3-bis(3-aminophenyl)phenyl]phenol

3-[2,3-bis(3-aminophenyl)phenyl]phenol (PubChem CID 139931818) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[2,3-bis(3-aminophenyl)phenyl]phenol.

Molecular Properties

Compound Name3-[2,3-bis(3-aminophenyl)phenyl]phenol
PubChem CID139931818
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3-[2,3-bis(3-aminophenyl)phenyl]phenol
SMILESNc1cccc(-c2cccc(-c3cccc(O)c3)c2-c2cccc(N)c2)c1
InChIInChI=1S/C24H20N2O/c25-19-8-1-5-16(13-19)22-11-4-12-23(17-6-3-10-21(27)15-17)24(22)18-7-2-9-20(26)14-18/h1-15,27H,25-26H2
InChIKeyKKVSINGUHBVXAH-UHFFFAOYSA-N
XLogP5.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
CID 23514495
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
5-amino-2-(3-aminophenyl)phenol;hydrochloride
CID 22023366
3-aminophenol;molecular nitrogen
CID 174840874
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
2-(3-aminophenyl)-5-hydroxybenzaldehyde
CID 163758907
3-aminophenol;benzene-1,3-diol;ethane
CID 142022536
5-[2,3-bis(3,5-diaminophenyl)phenyl]benzene-1,3-diamine
CID 67410008
3-(3-aminophenyl)aniline;sulfane
CID 175159845
azulene-1,5-diol
CID 71327638
2-(3-aminophenyl)-6-nitrophenol;hydrobromide
CID 69006679
4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol
CID 139931809

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
The IUPAC name of 3-[2,3-bis(3-aminophenyl)phenyl]phenol (CID 139931818) is 3-[2,3-bis(3-aminophenyl)phenyl]phenol.
What is the SMILES notation for 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
The canonical SMILES for 3-[2,3-bis(3-aminophenyl)phenyl]phenol is Nc1cccc(-c2cccc(-c3cccc(O)c3)c2-c2cccc(N)c2)c1.
What is the InChIKey of 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
The InChIKey is KKVSINGUHBVXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-19-8-1-5-16(13-19)22-11-4-12-23(17-6-3-10-21(27)15-17)24(22)18-7-2-9-20(26)14-18/h1-15,27H,25-26H2.
What are the key properties of 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
3-[2,3-bis(3-aminophenyl)phenyl]phenol has a molecular weight of 352.44 g/mol, XLogP of 5.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(3-aminophenyl)phenyl]phenol is sourced from PubChem (CID 139931818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).