2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine

C28H18N4 — CID 177465729

IUPAC2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine
SMILESc1ccc(-c2ccc3cc(-c4ccc5ccc(-c6ccccc6)nc5n4)cnc3n2)cc1
InChIInChI=1S/C28H18N4/c1-3-7-19(8-4-1)24-16-13-22-17-23(18-29-27(22)30-24)26-15-12-21-11-14-25(31-28(21)32-26)20-9-5-2-6-10-20/h1-18H
InChIKeyARHBQZWTLJTXAI-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.57
Rot. Bonds3

About 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine

2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine (PubChem CID 177465729) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine
PubChem CID177465729
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine
SMILESc1ccc(-c2ccc3cc(-c4ccc5ccc(-c6ccccc6)nc5n4)cnc3n2)cc1
InChIInChI=1S/C28H18N4/c1-3-7-19(8-4-1)24-16-13-22-17-23(18-29-27(22)30-24)26-15-12-21-11-14-25(31-28(21)32-26)20-9-5-2-6-10-20/h1-18H
InChIKeyARHBQZWTLJTXAI-UHFFFAOYSA-N
XLogP6.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine?
The IUPAC name of 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine (CID 177465729) is 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine?
The canonical SMILES for 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine is c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6ccccc6)nc5n4)cnc3n2)cc1.
What is the InChIKey of 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine?
The InChIKey is ARHBQZWTLJTXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-3-7-19(8-4-1)24-16-13-22-17-23(18-29-27(22)30-24)26-15-12-21-11-14-25(31-28(21)32-26)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine?
2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine has a molecular weight of 410.48 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(7-phenyl-1,8-naphthyridin-2-yl)-1,8-naphthyridine is sourced from PubChem (CID 177465729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).