tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)

C88H72N8O8 — CID 139056979

IUPACtetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)
SMILESOc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C12H10O2.4C10H8N2/c4*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h4*1-8,13-14H;4*1-8H
InChIKeyFUKSJYCRNCRBGY-UHFFFAOYSA-N
MW1369.59 g/mol
LogP19.63
Rot. Bonds8

About tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)

tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine) (PubChem CID 139056979) has the molecular formula C88H72N8O8 and a molecular weight of 1369.59 g/mol. Its IUPAC name is tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Nametetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)
PubChem CID139056979
Molecular FormulaC88H72N8O8
Molecular Weight1369.59 g/mol
Exact Mass1368.55
IUPAC Nametetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)
SMILESOc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C12H10O2.4C10H8N2/c4*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h4*1-8,13-14H;4*1-8H
InChIKeyFUKSJYCRNCRBGY-UHFFFAOYSA-N
XLogP19.63
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001369.59
LogP ≤ 519.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Related Compounds

4-[3-(4-Hydroxyphenyl)-4-pyridinyl]phenol
CID 137125251
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
4-[2-[4-(4-Hydroxyphenyl)-2-pyridinyl]-4-pyridinyl]phenol
CID 137267214
Phenol, 4-[2,2':6',2''-terpyridin]-4'-yl-
CID 135461974
4-(4-Methoxyphenyl)-1-[[4-[tris[4-[[4-(4-methoxyphenyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]methyl]pyridin-1-ium tetrachloride
CID 177650523
2,6-Bis{bis(2-pyridylmethyl)aminomethyl}-4-t-butylphenol
CID 12125964
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 157487019
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-fluoropyridine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 157819114
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol
CID 160855374
5-(4-Butylphenyl)-2-(difluoromethoxy)pyridine;5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine
CID 173378056
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
CID 71401574

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)?
The IUPAC name of tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine) (CID 139056979) is tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine).
What is the SMILES notation for tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)?
The canonical SMILES for tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine) is Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)?
The InChIKey is FUKSJYCRNCRBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H10O2.4C10H8N2/c4*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h4*1-8,13-14H;4*1-8H.
What are the key properties of tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine)?
tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine) has a molecular weight of 1369.59 g/mol, XLogP of 19.63, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-(4-hydroxyphenyl)phenol);tetrakis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139056979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).