aniline;1,1'-biphenyl;phenol;hydroiodide

C24H24INO — CID 172679592

IUPACaniline;1,1'-biphenyl;phenol;hydroiodide
SMILESI.Nc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H7N.C6H6O.HI/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6;/h1-10H;1-5H,7H2;1-5,7H;1H
InChIKeyAFFMDMSLDYNHPC-UHFFFAOYSA-N
MW469.37 g/mol
LogP6.63
Rot. Bonds1

About aniline;1,1'-biphenyl;phenol;hydroiodide

aniline;1,1'-biphenyl;phenol;hydroiodide (PubChem CID 172679592) has the molecular formula C24H24INO and a molecular weight of 469.37 g/mol. Its IUPAC name is aniline;1,1'-biphenyl;phenol;hydroiodide.

Molecular Properties

Compound Nameaniline;1,1'-biphenyl;phenol;hydroiodide
PubChem CID172679592
Molecular FormulaC24H24INO
Molecular Weight469.37 g/mol
Exact Mass469.09
IUPAC Nameaniline;1,1'-biphenyl;phenol;hydroiodide
SMILESI.Nc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H7N.C6H6O.HI/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6;/h1-10H;1-5H,7H2;1-5,7H;1H
InChIKeyAFFMDMSLDYNHPC-UHFFFAOYSA-N
XLogP6.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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aniline;phenol
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aniline;benzene;benzene-1,4-diol
CID 175585204
benzene;1,1'-biphenyl;phenol
CID 159528072
aniline;azane;1,1'-biphenyl
CID 172863138
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
1,1'-biphenyl;naphthalene;phenol
CID 159002551
hydrazine;phenol
CID 70470344
4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol
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bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
phenol;thiohydroxylamine
CID 175057417

Frequently Asked Questions

What is the IUPAC name of aniline;1,1'-biphenyl;phenol;hydroiodide?
The IUPAC name of aniline;1,1'-biphenyl;phenol;hydroiodide (CID 172679592) is aniline;1,1'-biphenyl;phenol;hydroiodide.
What is the SMILES notation for aniline;1,1'-biphenyl;phenol;hydroiodide?
The canonical SMILES for aniline;1,1'-biphenyl;phenol;hydroiodide is I.Nc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of aniline;1,1'-biphenyl;phenol;hydroiodide?
The InChIKey is AFFMDMSLDYNHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H7N.C6H6O.HI/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6;/h1-10H;1-5H,7H2;1-5,7H;1H.
What are the key properties of aniline;1,1'-biphenyl;phenol;hydroiodide?
aniline;1,1'-biphenyl;phenol;hydroiodide has a molecular weight of 469.37 g/mol, XLogP of 6.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1,1'-biphenyl;phenol;hydroiodide is sourced from PubChem (CID 172679592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).