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

C30H21N3O — CID 67472092

IUPAC(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3C(=O)c1cccc2nccnc12
InChIInChI=1S/C30H21N3O/c1-30(2)23-11-5-3-8-18(23)21-17-27-22(16-24(21)30)19-9-4-6-13-26(19)33(27)29(34)20-10-7-12-25-28(20)32-15-14-31-25/h3-17H,1-2H3
InChIKeyPRSMAUYQHMNDPS-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.73
Rot. Bonds1

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

(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone (PubChem CID 67472092) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone
PubChem CID67472092
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3C(=O)c1cccc2nccnc12
InChIInChI=1S/C30H21N3O/c1-30(2)23-11-5-3-8-18(23)21-17-27-22(16-24(21)30)19-9-4-6-13-26(19)33(27)29(34)20-10-7-12-25-28(20)32-15-14-31-25/h3-17H,1-2H3
InChIKeyPRSMAUYQHMNDPS-UHFFFAOYSA-N
XLogP6.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone?
The IUPAC name of (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone (CID 67472092) is (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone.
What is the SMILES notation for (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone?
The canonical SMILES for (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3C(=O)c1cccc2nccnc12.
What is the InChIKey of (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone?
The InChIKey is PRSMAUYQHMNDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c1-30(2)23-11-5-3-8-18(23)21-17-27-22(16-24(21)30)19-9-4-6-13-26(19)33(27)29(34)20-10-7-12-25-28(20)32-15-14-31-25/h3-17H,1-2H3.
What are the key properties of (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone?
(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone has a molecular weight of 439.52 g/mol, XLogP of 6.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11,11-dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone is sourced from PubChem (CID 67472092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).