2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol

C26H24N4O2 — CID 141302239

IUPAC2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol
SMILESOC1C(c2ccccn2)C(c2ccccn2)C(O)C(c2ccccn2)C1c1ccccn1
InChIInChI=1S/C26H24N4O2/c31-25-21(17-9-1-5-13-27-17)22(18-10-2-6-14-28-18)26(32)24(20-12-4-8-16-30-20)23(25)19-11-3-7-15-29-19/h1-16,21-26,31-32H
InChIKeyPOBZLPYENHWDNU-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.44
Rot. Bonds4

About 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol

2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol (PubChem CID 141302239) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol.

Molecular Properties

Compound Name2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol
PubChem CID141302239
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol
SMILESOC1C(c2ccccn2)C(c2ccccn2)C(O)C(c2ccccn2)C1c1ccccn1
InChIInChI=1S/C26H24N4O2/c31-25-21(17-9-1-5-13-27-17)22(18-10-2-6-14-28-18)26(32)24(20-12-4-8-16-30-20)23(25)19-11-3-7-15-29-19/h1-16,21-26,31-32H
InChIKeyPOBZLPYENHWDNU-UHFFFAOYSA-N
XLogP3.44
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol?
The IUPAC name of 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol (CID 141302239) is 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol.
What is the SMILES notation for 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol?
The canonical SMILES for 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol is OC1C(c2ccccn2)C(c2ccccn2)C(O)C(c2ccccn2)C1c1ccccn1.
What is the InChIKey of 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol?
The InChIKey is POBZLPYENHWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-25-21(17-9-1-5-13-27-17)22(18-10-2-6-14-28-18)26(32)24(20-12-4-8-16-30-20)23(25)19-11-3-7-15-29-19/h1-16,21-26,31-32H.
What are the key properties of 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol?
2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol has a molecular weight of 424.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrapyridin-2-ylcyclohexane-1,4-diol is sourced from PubChem (CID 141302239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).