2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine

C40H26N4 — CID 59999905

IUPAC2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc2cc(-c3nc4ccccn4c3-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5ccccn45)cc3)ccc2c1
InChIInChI=1S/C40H26N4/c1-3-11-31-25-33(21-15-27(31)9-1)37-39(43-23-7-5-13-35(43)41-37)29-17-19-30(20-18-29)40-38(42-36-14-6-8-24-44(36)40)34-22-16-28-10-2-4-12-32(28)26-34/h1-26H
InChIKeyBZHDVIMFONWFEG-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.96
Rot. Bonds4

About 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine

2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 59999905) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
PubChem CID59999905
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc2cc(-c3nc4ccccn4c3-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5ccccn45)cc3)ccc2c1
InChIInChI=1S/C40H26N4/c1-3-11-31-25-33(21-15-27(31)9-1)37-39(43-23-7-5-13-35(43)41-37)29-17-19-30(20-18-29)40-38(42-36-14-6-8-24-44(36)40)34-22-16-28-10-2-4-12-32(28)26-34/h1-26H
InChIKeyBZHDVIMFONWFEG-UHFFFAOYSA-N
XLogP9.96
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine (CID 59999905) is 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine is c1ccc2cc(-c3nc4ccccn4c3-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5ccccn45)cc3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is BZHDVIMFONWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-11-31-25-33(21-15-27(31)9-1)37-39(43-23-7-5-13-35(43)41-37)29-17-19-30(20-18-29)40-38(42-36-14-6-8-24-44(36)40)34-22-16-28-10-2-4-12-32(28)26-34/h1-26H.
What are the key properties of 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine?
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 562.68 g/mol, XLogP of 9.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 59999905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).