4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine

C31H21N5 — CID 88853115

IUPAC4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine
SMILESc1cc(-c2cc(-c3ccncc3)c(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1
InChIInChI=1S/C31H21N5/c1-11-32-12-2-22(1)27-21-28(23-3-13-33-14-4-23)30(25-7-17-35-18-8-25)31(26-9-19-36-20-10-26)29(27)24-5-15-34-16-6-24/h1-21H
InChIKeyYPQNDYVSKYUJNF-UHFFFAOYSA-N
MW463.54 g/mol
LogP7.00
Rot. Bonds5

About 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine

4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine (PubChem CID 88853115) has the molecular formula C31H21N5 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine
PubChem CID88853115
Molecular FormulaC31H21N5
Molecular Weight463.54 g/mol
Exact Mass463.18
IUPAC Name4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine
SMILESc1cc(-c2cc(-c3ccncc3)c(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1
InChIInChI=1S/C31H21N5/c1-11-32-12-2-22(1)27-21-28(23-3-13-33-14-4-23)30(25-7-17-35-18-8-25)31(26-9-19-36-20-10-26)29(27)24-5-15-34-16-6-24/h1-21H
InChIKeyYPQNDYVSKYUJNF-UHFFFAOYSA-N
XLogP7.00
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine?
The IUPAC name of 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine (CID 88853115) is 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine.
What is the SMILES notation for 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine?
The canonical SMILES for 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine is c1cc(-c2cc(-c3ccncc3)c(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1.
What is the InChIKey of 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine?
The InChIKey is YPQNDYVSKYUJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5/c1-11-32-12-2-22(1)27-21-28(23-3-13-33-14-4-23)30(25-7-17-35-18-8-25)31(26-9-19-36-20-10-26)29(27)24-5-15-34-16-6-24/h1-21H.
What are the key properties of 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine?
4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine has a molecular weight of 463.54 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 88853115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).