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

C33H21N3O — CID 118293575

IUPAC2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole
SMILESc1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1
InChIInChI=1S/C33H21N3O/c1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23/h1-21H
InChIKeyWJVHMSZHXLWDQJ-UHFFFAOYSA-N
MW475.55 g/mol
LogP8.54
Rot. Bonds3

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

2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole (PubChem CID 118293575) has the molecular formula C33H21N3O and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole
PubChem CID118293575
Molecular FormulaC33H21N3O
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC Name2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole
SMILESc1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1
InChIInChI=1S/C33H21N3O/c1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23/h1-21H
InChIKeyWJVHMSZHXLWDQJ-UHFFFAOYSA-N
XLogP8.54
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole?
The IUPAC name of 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole (CID 118293575) is 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole.
What is the SMILES notation for 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole?
The canonical SMILES for 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole is c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1.
What is the InChIKey of 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole?
The InChIKey is WJVHMSZHXLWDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O/c1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23/h1-21H.
What are the key properties of 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole?
2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole has a molecular weight of 475.55 g/mol, XLogP of 8.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole is sourced from PubChem (CID 118293575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).