5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole

C32H20N4O — CID 118300875

IUPAC5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc(-c6ccccn6)o5)c4c32)cc1
InChIInChI=1S/C32H20N4O/c1-2-10-21(11-3-1)35-27-15-6-4-12-22(27)24-17-18-25-23-13-5-7-16-28(23)36(31(25)30(24)35)29-20-34-32(37-29)26-14-8-9-19-33-26/h1-20H
InChIKeyJKBNCZATFGIHAT-UHFFFAOYSA-N
MW476.54 g/mol
LogP7.93
Rot. Bonds3

About 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole

5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole (PubChem CID 118300875) has the molecular formula C32H20N4O and a molecular weight of 476.54 g/mol. Its IUPAC name is 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole
PubChem CID118300875
Molecular FormulaC32H20N4O
Molecular Weight476.54 g/mol
Exact Mass476.16
IUPAC Name5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc(-c6ccccn6)o5)c4c32)cc1
InChIInChI=1S/C32H20N4O/c1-2-10-21(11-3-1)35-27-15-6-4-12-22(27)24-17-18-25-23-13-5-7-16-28(23)36(31(25)30(24)35)29-20-34-32(37-29)26-14-8-9-19-33-26/h1-20H
InChIKeyJKBNCZATFGIHAT-UHFFFAOYSA-N
XLogP7.93
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole?
The IUPAC name of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole (CID 118300875) is 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole?
The canonical SMILES for 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc(-c6ccccn6)o5)c4c32)cc1.
What is the InChIKey of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole?
The InChIKey is JKBNCZATFGIHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4O/c1-2-10-21(11-3-1)35-27-15-6-4-12-22(27)24-17-18-25-23-13-5-7-16-28(23)36(31(25)30(24)35)29-20-34-32(37-29)26-14-8-9-19-33-26/h1-20H.
What are the key properties of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole?
5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole has a molecular weight of 476.54 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole is sourced from PubChem (CID 118300875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).