tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)

C68H64N8O8 — CID 139041927

IUPACtetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)
SMILESCc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C10H8N2.4C7H8O2/c4*1-5-11-6-2-9(1)10-3-7-12-8-4-10;4*1-5-2-6(8)4-7(9)3-5/h4*1-8H;4*2-4,8-9H,1H3
InChIKeyFLRPAIZPBSDJSU-UHFFFAOYSA-N
MW1121.31 g/mol
LogP14.20
Rot. Bonds4

About tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)

tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine) (PubChem CID 139041927) has the molecular formula C68H64N8O8 and a molecular weight of 1121.31 g/mol. Its IUPAC name is tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Nametetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)
PubChem CID139041927
Molecular FormulaC68H64N8O8
Molecular Weight1121.31 g/mol
Exact Mass1120.48
IUPAC Nametetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)
SMILESCc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C10H8N2.4C7H8O2/c4*1-5-11-6-2-9(1)10-3-7-12-8-4-10;4*1-5-2-6(8)4-7(9)3-5/h4*1-8H;4*2-4,8-9H,1H3
InChIKeyFLRPAIZPBSDJSU-UHFFFAOYSA-N
XLogP14.20
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001121.31
LogP ≤ 514.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Related Compounds

5-(2,6-Dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol
CID 23516660
(2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol
CID 134840953
bis(5-iodobenzene-1,3-diol);bis(4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine)
CID 139037235
4-[(1R,2S,3R,4S)-2-(2,6-dipyridin-2-yl-4-pyridinyl)-3,4-diphenylcyclobutyl]-2,6-dipyridin-2-ylpyridine;bis(5-iodobenzene-1,3-diol)
CID 139037236
bis(benzene-1,3-diol);bis(4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine);hydrate
CID 139037238
Bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)
CID 139038971
Benzene-1,3,5-triol;tris(pyridine-4-carbonitrile)
CID 139038976
Orcinol:4,4-Bipyridyl
CID 139041925
Hexakis(5-methylbenzene-1,3-diol);nonakis(4-pyridin-4-ylpyridine)
CID 139041926
Bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
CID 139049918
bis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
CID 139049922
bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)
CID 139049924

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)?
The IUPAC name of tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine) (CID 139041927) is tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine).
What is the SMILES notation for tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)?
The canonical SMILES for tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine) is Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)?
The InChIKey is FLRPAIZPBSDJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N2.4C7H8O2/c4*1-5-11-6-2-9(1)10-3-7-12-8-4-10;4*1-5-2-6(8)4-7(9)3-5/h4*1-8H;4*2-4,8-9H,1H3.
What are the key properties of tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine)?
tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine) has a molecular weight of 1121.31 g/mol, XLogP of 14.20, 4 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(5-methylbenzene-1,3-diol);tetrakis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139041927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).