4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol

C34H24N2O4 — CID 139123354

IUPAC4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol
SMILESOc1cccc2c1-c1c(O)cccc1-c1cccc(O)c1-c1c(O)cccc1-2.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C24H16O4.C10H8N2/c25-17-9-1-5-13-14-6-2-10-18(26)22(14)24-16(8-4-12-20(24)28)15-7-3-11-19(27)23(15)21(13)17;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,25-28H;1-8H/b14-13-,16-15-,23-21-,24-22-;
InChIKeyZPNQMFXVAXTDBW-ZYELHEIQSA-N
MW524.58 g/mol
LogP7.63
Rot. Bonds1

About 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol

4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol (PubChem CID 139123354) has the molecular formula C34H24N2O4 and a molecular weight of 524.58 g/mol. Its IUPAC name is 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol.

Molecular Properties

Compound Name4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol
PubChem CID139123354
Molecular FormulaC34H24N2O4
Molecular Weight524.58 g/mol
Exact Mass524.17
IUPAC Name4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol
SMILESOc1cccc2c1-c1c(O)cccc1-c1cccc(O)c1-c1c(O)cccc1-2.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C24H16O4.C10H8N2/c25-17-9-1-5-13-14-6-2-10-18(26)22(14)24-16(8-4-12-20(24)28)15-7-3-11-19(27)23(15)21(13)17;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,25-28H;1-8H/b14-13-,16-15-,23-21-,24-22-;
InChIKeyZPNQMFXVAXTDBW-ZYELHEIQSA-N
XLogP7.63
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 57.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol?
The IUPAC name of 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol (CID 139123354) is 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol.
What is the SMILES notation for 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol?
The canonical SMILES for 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol is Oc1cccc2c1-c1c(O)cccc1-c1cccc(O)c1-c1c(O)cccc1-2.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol?
The InChIKey is ZPNQMFXVAXTDBW-ZYELHEIQSA-N. The full InChI is InChI=1S/C24H16O4.C10H8N2/c25-17-9-1-5-13-14-6-2-10-18(26)22(14)24-16(8-4-12-20(24)28)15-7-3-11-19(27)23(15)21(13)17;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,25-28H;1-8H/b14-13-,16-15-,23-21-,24-22-;.
What are the key properties of 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol?
4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol has a molecular weight of 524.58 g/mol, XLogP of 7.63, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol is sourced from PubChem (CID 139123354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).