5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole

C34H24N2O — CID 118502263

IUPAC5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5)c5ocnc5c4)c3c21
InChIInChI=1S/C34H24N2O/c1-34(2)28-14-8-6-12-23(28)25-16-17-26-24-13-7-9-15-30(24)36(32(26)31(25)34)22-18-27(21-10-4-3-5-11-21)33-29(19-22)35-20-37-33/h3-20H,1-2H3
InChIKeyYFBFIPOOQIXTKD-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.90
Rot. Bonds2

About 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole

5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole (PubChem CID 118502263) has the molecular formula C34H24N2O and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole
PubChem CID118502263
Molecular FormulaC34H24N2O
Molecular Weight476.58 g/mol
Exact Mass476.19
IUPAC Name5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5)c5ocnc5c4)c3c21
InChIInChI=1S/C34H24N2O/c1-34(2)28-14-8-6-12-23(28)25-16-17-26-24-13-7-9-15-30(24)36(32(26)31(25)34)22-18-27(21-10-4-3-5-11-21)33-29(19-22)35-20-37-33/h3-20H,1-2H3
InChIKeyYFBFIPOOQIXTKD-UHFFFAOYSA-N
XLogP8.90
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
12,12-dimethyl-11-(1-phenylbenzimidazol-5-yl)indeno[2,1-a]carbazole
CID 118502264
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile
CID 129225661
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 130181306
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215

Frequently Asked Questions

What is the IUPAC name of 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole?
The IUPAC name of 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole (CID 118502263) is 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5)c5ocnc5c4)c3c21.
What is the InChIKey of 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole?
The InChIKey is YFBFIPOOQIXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O/c1-34(2)28-14-8-6-12-23(28)25-16-17-26-24-13-7-9-15-30(24)36(32(26)31(25)34)22-18-27(21-10-4-3-5-11-21)33-29(19-22)35-20-37-33/h3-20H,1-2H3.
What are the key properties of 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole?
5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole has a molecular weight of 476.58 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole is sourced from PubChem (CID 118502263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).