bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)

C54H44N8O6 — CID 139181797

IUPACbis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C10H8N2.2C7H6O3/c4*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-6-3-1-5(2-4-6)7(9)10/h4*1-8H;2*1-4,8H,(H,9,10)
InChIKeyVFFKLJYLJFVCOS-UHFFFAOYSA-N
MW901.00 g/mol
LogP10.76
Rot. Bonds6

About bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)

bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine) (PubChem CID 139181797) has the molecular formula C54H44N8O6 and a molecular weight of 901.00 g/mol. Its IUPAC name is bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Namebis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)
PubChem CID139181797
Molecular FormulaC54H44N8O6
Molecular Weight901.00 g/mol
Exact Mass900.34
IUPAC Namebis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C10H8N2.2C7H6O3/c4*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-6-3-1-5(2-4-6)7(9)10/h4*1-8H;2*1-4,8H,(H,9,10)
InChIKeyVFFKLJYLJFVCOS-UHFFFAOYSA-N
XLogP10.76
TPSA218.18 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.00
LogP ≤ 510.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)?
The IUPAC name of bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine) (CID 139181797) is bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine).
What is the SMILES notation for bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)?
The canonical SMILES for bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine) is O=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)?
The InChIKey is VFFKLJYLJFVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N2.2C7H6O3/c4*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-6-3-1-5(2-4-6)7(9)10/h4*1-8H;2*1-4,8H,(H,9,10).
What are the key properties of bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine)?
bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine) has a molecular weight of 901.00 g/mol, XLogP of 10.76, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzoic acid);tetrakis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139181797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).