2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one

C35H22N2O2 — CID 90201706

IUPAC2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc2cc3c(cc2o1)-c1ccccc1C3=O
InChIInChI=1S/C35H22N2O2/c1-35(2)27-13-7-5-10-20(27)24-17-31-25(15-28(24)35)21-11-6-8-14-30(21)37(31)34-36-29-16-26-23(18-32(29)39-34)19-9-3-4-12-22(19)33(26)38/h3-18H,1-2H3
InChIKeyWTZQWWSPFRCULR-UHFFFAOYSA-N
MW502.57 g/mol
LogP8.44
Rot. Bonds1

About 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one

2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one (PubChem CID 90201706) has the molecular formula C35H22N2O2 and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one.

Molecular Properties

Compound Name2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one
PubChem CID90201706
Molecular FormulaC35H22N2O2
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC Name2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc2cc3c(cc2o1)-c1ccccc1C3=O
InChIInChI=1S/C35H22N2O2/c1-35(2)27-13-7-5-10-20(27)24-17-31-25(15-28(24)35)21-11-6-8-14-30(21)37(31)34-36-29-16-26-23(18-32(29)39-34)19-9-3-4-12-22(19)33(26)38/h3-18H,1-2H3
InChIKeyWTZQWWSPFRCULR-UHFFFAOYSA-N
XLogP8.44
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one with MolForge

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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-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one
CID 118531848
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 86664282
11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
CID 118488779
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
11,11-dimethyl-5-(1-phenylisoquinolin-3-yl)indeno[1,2-b]carbazole
CID 118502176
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole
CID 118502171
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one?
The IUPAC name of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one (CID 90201706) is 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one.
What is the SMILES notation for 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one?
The canonical SMILES for 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc2cc3c(cc2o1)-c1ccccc1C3=O.
What is the InChIKey of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one?
The InChIKey is WTZQWWSPFRCULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O2/c1-35(2)27-13-7-5-10-20(27)24-17-31-25(15-28(24)35)21-11-6-8-14-30(21)37(31)34-36-29-16-26-23(18-32(29)39-34)19-9-3-4-12-22(19)33(26)38/h3-18H,1-2H3.
What are the key properties of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one?
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one has a molecular weight of 502.57 g/mol, XLogP of 8.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one is sourced from PubChem (CID 90201706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).