6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole

C28H20N2O — CID 118502221

IUPAC6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ncoc5c4)c3c21
InChIInChI=1S/C28H20N2O/c1-28(2)22-9-5-3-7-18(22)20-12-13-21-19-8-4-6-10-24(19)30(27(21)26(20)28)17-11-14-23-25(15-17)31-16-29-23/h3-16H,1-2H3
InChIKeyBEYRMWAYOQOECR-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.23
Rot. Bonds1

About 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole

6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole (PubChem CID 118502221) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole
PubChem CID118502221
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ncoc5c4)c3c21
InChIInChI=1S/C28H20N2O/c1-28(2)22-9-5-3-7-18(22)20-12-13-21-19-8-4-6-10-24(19)30(27(21)26(20)28)17-11-14-23-25(15-17)31-16-29-23/h3-16H,1-2H3
InChIKeyBEYRMWAYOQOECR-UHFFFAOYSA-N
XLogP7.23
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole?
The IUPAC name of 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole (CID 118502221) is 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ncoc5c4)c3c21.
What is the InChIKey of 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole?
The InChIKey is BEYRMWAYOQOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-28(2)22-9-5-3-7-18(22)20-12-13-21-19-8-4-6-10-24(19)30(27(21)26(20)28)17-11-14-23-25(15-17)31-16-29-23/h3-16H,1-2H3.
What are the key properties of 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole?
6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole has a molecular weight of 400.48 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole is sourced from PubChem (CID 118502221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).