2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole

C28H20N2O — CID 118502310

IUPAC2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5ccccc5o4)c3cc21
InChIInChI=1S/C28H20N2O/c1-28(2)21-11-5-3-9-17(21)19-15-20-18-10-4-7-13-24(18)30(25(20)16-22(19)28)27-29-23-12-6-8-14-26(23)31-27/h3-16H,1-2H3
InChIKeyLPOOMBNKFPJAPN-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.23
Rot. Bonds1

About 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole

2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole (PubChem CID 118502310) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
PubChem CID118502310
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5ccccc5o4)c3cc21
InChIInChI=1S/C28H20N2O/c1-28(2)21-11-5-3-9-17(21)19-15-20-18-10-4-7-13-24(18)30(25(20)16-22(19)28)27-29-23-12-6-8-14-26(23)31-27/h3-16H,1-2H3
InChIKeyLPOOMBNKFPJAPN-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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Related Compounds

2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)naphtho[2,3-f][1,3]benzoxazole-5,10-dione
CID 90201703
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one
CID 90201706
11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661690
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
2-[14-(1,3-benzoxazol-2-yl)-10,10-dimethyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]-1,3-benzoxazole
CID 58411806
2-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59227970
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221
9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 130327429

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole (CID 118502310) is 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5ccccc5o4)c3cc21.
What is the InChIKey of 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole?
The InChIKey is LPOOMBNKFPJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-28(2)21-11-5-3-9-17(21)19-15-20-18-10-4-7-13-24(18)30(25(20)16-22(19)28)27-29-23-12-6-8-14-26(23)31-27/h3-16H,1-2H3.
What are the key properties of 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole?
2-(7,7-dimethylindeno[2,1-b]carbazol-5-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 2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 118502310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).