1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole

C40H24N4O2 — CID 59999936

IUPAC1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3c(-c4ccc5ccccc5c4)nc4oc5ccccc5n34)cc2)cc1
InChIInChI=1S/C40H24N4O2/c1-2-11-26(12-3-1)35-37(43-31-14-6-8-16-33(31)45-39(43)41-35)27-19-21-28(22-20-27)38-36(30-23-18-25-10-4-5-13-29(25)24-30)42-40-44(38)32-15-7-9-17-34(32)46-40/h1-24H
InChIKeyOAQKFNAGBIFJFX-UHFFFAOYSA-N
MW592.66 g/mol
LogP10.30
Rot. Bonds4

About 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole

1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole (PubChem CID 59999936) has the molecular formula C40H24N4O2 and a molecular weight of 592.66 g/mol. Its IUPAC name is 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole
PubChem CID59999936
Molecular FormulaC40H24N4O2
Molecular Weight592.66 g/mol
Exact Mass592.19
IUPAC Name1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3c(-c4ccc5ccccc5c4)nc4oc5ccccc5n34)cc2)cc1
InChIInChI=1S/C40H24N4O2/c1-2-11-26(12-3-1)35-37(43-31-14-6-8-16-33(31)45-39(43)41-35)27-19-21-28(22-20-27)38-36(30-23-18-25-10-4-5-13-29(25)24-30)42-40-44(38)32-15-7-9-17-34(32)46-40/h1-24H
InChIKeyOAQKFNAGBIFJFX-UHFFFAOYSA-N
XLogP10.30
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.66
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole (CID 59999936) is 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3c(-c4ccc5ccccc5c4)nc4oc5ccccc5n34)cc2)cc1.
What is the InChIKey of 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?
The InChIKey is OAQKFNAGBIFJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O2/c1-2-11-26(12-3-1)35-37(43-31-14-6-8-16-33(31)45-39(43)41-35)27-19-21-28(22-20-27)38-36(30-23-18-25-10-4-5-13-29(25)24-30)42-40-44(38)32-15-7-9-17-34(32)46-40/h1-24H.
What are the key properties of 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?
1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole has a molecular weight of 592.66 g/mol, XLogP of 10.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59999936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).