1,4,5,8-tetraphenyl-2,6-naphthyridine

C32H22N2 — CID 13154164

IUPAC1,4,5,8-tetraphenyl-2,6-naphthyridine
SMILESc1ccc(-c2cnc(-c3ccccc3)c3c(-c4ccccc4)cnc(-c4ccccc4)c23)cc1
InChIInChI=1S/C32H22N2/c1-5-13-23(14-6-1)27-21-33-32(26-19-11-4-12-20-26)30-28(24-15-7-2-8-16-24)22-34-31(29(27)30)25-17-9-3-10-18-25/h1-22H
InChIKeyFEPYQIJFKHJGFS-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.30
Rot. Bonds4

About 1,4,5,8-tetraphenyl-2,6-naphthyridine

1,4,5,8-tetraphenyl-2,6-naphthyridine (PubChem CID 13154164) has the molecular formula C32H22N2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1,4,5,8-tetraphenyl-2,6-naphthyridine.

Molecular Properties

Compound Name1,4,5,8-tetraphenyl-2,6-naphthyridine
PubChem CID13154164
Molecular FormulaC32H22N2
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name1,4,5,8-tetraphenyl-2,6-naphthyridine
SMILESc1ccc(-c2cnc(-c3ccccc3)c3c(-c4ccccc4)cnc(-c4ccccc4)c23)cc1
InChIInChI=1S/C32H22N2/c1-5-13-23(14-6-1)27-21-33-32(26-19-11-4-12-20-26)30-28(24-15-7-2-8-16-24)22-34-31(29(27)30)25-17-9-3-10-18-25/h1-22H
InChIKeyFEPYQIJFKHJGFS-UHFFFAOYSA-N
XLogP8.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetraphenyl-2,6-naphthyridine?
The IUPAC name of 1,4,5,8-tetraphenyl-2,6-naphthyridine (CID 13154164) is 1,4,5,8-tetraphenyl-2,6-naphthyridine.
What is the SMILES notation for 1,4,5,8-tetraphenyl-2,6-naphthyridine?
The canonical SMILES for 1,4,5,8-tetraphenyl-2,6-naphthyridine is c1ccc(-c2cnc(-c3ccccc3)c3c(-c4ccccc4)cnc(-c4ccccc4)c23)cc1.
What is the InChIKey of 1,4,5,8-tetraphenyl-2,6-naphthyridine?
The InChIKey is FEPYQIJFKHJGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2/c1-5-13-23(14-6-1)27-21-33-32(26-19-11-4-12-20-26)30-28(24-15-7-2-8-16-24)22-34-31(29(27)30)25-17-9-3-10-18-25/h1-22H.
What are the key properties of 1,4,5,8-tetraphenyl-2,6-naphthyridine?
1,4,5,8-tetraphenyl-2,6-naphthyridine has a molecular weight of 434.54 g/mol, XLogP of 8.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetraphenyl-2,6-naphthyridine is sourced from PubChem (CID 13154164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).