bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)

C58H48N4O6 — CID 139181798

IUPACbis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/4C11H9N.2C7H6O3/c4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;2*8-6-3-1-5(2-4-6)7(9)10/h4*1-9H;2*1-4,8H,(H,9,10)
InChIKeyKUXQSTWCKBRYFT-UHFFFAOYSA-N
MW897.04 g/mol
LogP13.18
Rot. Bonds6

About bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)

bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine) (PubChem CID 139181798) has the molecular formula C58H48N4O6 and a molecular weight of 897.04 g/mol. Its IUPAC name is bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine).

Molecular Properties

Compound Namebis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)
PubChem CID139181798
Molecular FormulaC58H48N4O6
Molecular Weight897.04 g/mol
Exact Mass896.36
IUPAC Namebis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/4C11H9N.2C7H6O3/c4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;2*8-6-3-1-5(2-4-6)7(9)10/h4*1-9H;2*1-4,8H,(H,9,10)
InChIKeyKUXQSTWCKBRYFT-UHFFFAOYSA-N
XLogP13.18
TPSA166.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.04
LogP ≤ 513.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; nickel(4+); 2-(2-pyridyl)pyridine
CID 86576182
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-(2-pyridyl)pyridine; zinc(4+)
CID 86576216
(E)-N-[2-(4-hydroxyphenyl)ethyl]-N-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-3-pyridin-3-ylprop-2-enamide;2,2,2-trifluoroacetic acid
CID 21987346
N-[2-(4-hydroxyphenyl)ethyl]-N-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-3-pyridin-3-ylprop-2-enamide;2,2,2-trifluoroacetic acid
CID 69591290
1,3-Di-4-pyridylpropane-4,4'-oxydibenzoic acid (1/1)
CID 74766067
Bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)
CID 139038971
5-(3,5-Dicarboxyphenyl)benzene-1,3-dicarboxylic acid;bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139051405
4-[1-(4-Hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol
CID 139051954
dizinc;bis(N,N-diethylpyridine-3-carboxamide);tetrakis(4-hydroxybenzoate);dihydrate
CID 139054885
4,4'-Dihydroxybenzophenone-4,4'-Bipyridyl (1/1)
CID 139055186
1,1,1-Tris(4-hydroxyphenyl)ethane-4,4'-bipyridyl (2/3)
CID 139056236
3,5-Dihydroxybenzoic acid-4,4'-bipyridine (2/3)
CID 139056813

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)?
The IUPAC name of bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine) (CID 139181798) is bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine).
What is the SMILES notation for bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)?
The canonical SMILES for bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine) is O=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)?
The InChIKey is KUXQSTWCKBRYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H9N.2C7H6O3/c4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;2*8-6-3-1-5(2-4-6)7(9)10/h4*1-9H;2*1-4,8H,(H,9,10).
What are the key properties of bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine)?
bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine) has a molecular weight of 897.04 g/mol, XLogP of 13.18, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzoic acid);tetrakis(4-phenylpyridine) is sourced from PubChem (CID 139181798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).