[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone

C36H25N3O — CID 67472093

IUPAC[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(C(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C36H25N3O/c1-36(2)29-11-5-3-8-24(29)27-21-33-28(20-30(27)36)25-9-4-6-13-32(25)39(33)23-16-14-22(15-17-23)35(40)26-10-7-12-31-34(26)38-19-18-37-31/h3-21H,1-2H3
InChIKeyOVIQXXYKPHQURY-UHFFFAOYSA-N
MW515.62 g/mol
LogP8.26
Rot. Bonds3

About [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone

[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone (PubChem CID 67472093) has the molecular formula C36H25N3O and a molecular weight of 515.62 g/mol. Its IUPAC name is [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone
PubChem CID67472093
Molecular FormulaC36H25N3O
Molecular Weight515.62 g/mol
Exact Mass515.20
IUPAC Name[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(C(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C36H25N3O/c1-36(2)29-11-5-3-8-24(29)27-21-33-28(20-30(27)36)25-9-4-6-13-32(25)39(33)23-16-14-22(15-17-23)35(40)26-10-7-12-31-34(26)38-19-18-37-31/h3-21H,1-2H3
InChIKeyOVIQXXYKPHQURY-UHFFFAOYSA-N
XLogP8.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone?
The IUPAC name of [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone (CID 67472093) is [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(C(=O)c2cccc3nccnc23)cc1.
What is the InChIKey of [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone?
The InChIKey is OVIQXXYKPHQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O/c1-36(2)29-11-5-3-8-24(29)27-21-33-28(20-30(27)36)25-9-4-6-13-32(25)39(33)23-16-14-22(15-17-23)35(40)26-10-7-12-31-34(26)38-19-18-37-31/h3-21H,1-2H3.
What are the key properties of [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone?
[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone has a molecular weight of 515.62 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 67472093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).