4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine

C36H24N4 — CID 58322595

IUPAC4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1
InChIInChI=1S/C36H24N4/c1-2-10-30-25(8-1)9-7-11-31(30)35-24-34(28-16-14-26(15-17-28)32-12-3-5-22-37-32)39-36(40-35)29-20-18-27(19-21-29)33-13-4-6-23-38-33/h1-24H
InChIKeyJPFNNKCHRUGPLQ-UHFFFAOYSA-N
MW512.62 g/mol
LogP8.75
Rot. Bonds5

About 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine

4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 58322595) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
PubChem CID58322595
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1
InChIInChI=1S/C36H24N4/c1-2-10-30-25(8-1)9-7-11-31(30)35-24-34(28-16-14-26(15-17-28)32-12-3-5-22-37-32)39-36(40-35)29-20-18-27(19-21-29)33-13-4-6-23-38-33/h1-24H
InChIKeyJPFNNKCHRUGPLQ-UHFFFAOYSA-N
XLogP8.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine (CID 58322595) is 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1.
What is the InChIKey of 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is JPFNNKCHRUGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c1-2-10-30-25(8-1)9-7-11-31(30)35-24-34(28-16-14-26(15-17-28)32-12-3-5-22-37-32)39-36(40-35)29-20-18-27(19-21-29)33-13-4-6-23-38-33/h1-24H.
What are the key properties of 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 512.62 g/mol, XLogP of 8.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 58322595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).