3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine

C25H17ClN2O — CID 151052453

IUPAC3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine
SMILESCC1(C)c2ccccc2-c2nc(Cl)c(-c3ccc4c(c3)oc3ccccc34)nc21
InChIInChI=1S/C25H17ClN2O/c1-25(2)18-9-5-3-8-17(18)22-23(25)27-21(24(26)28-22)14-11-12-16-15-7-4-6-10-19(15)29-20(16)13-14/h3-13H,1-2H3
InChIKeyMEKMTQVXYLLZPB-UHFFFAOYSA-N
MW396.88 g/mol
LogP7.00
Rot. Bonds1

About 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine

3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine (PubChem CID 151052453) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine.

Molecular Properties

Compound Name3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine
PubChem CID151052453
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine
SMILESCC1(C)c2ccccc2-c2nc(Cl)c(-c3ccc4c(c3)oc3ccccc34)nc21
InChIInChI=1S/C25H17ClN2O/c1-25(2)18-9-5-3-8-17(18)22-23(25)27-21(24(26)28-22)14-11-12-16-15-7-4-6-10-19(15)29-20(16)13-14/h3-13H,1-2H3
InChIKeyMEKMTQVXYLLZPB-UHFFFAOYSA-N
XLogP7.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

13-(2-dibenzofuran-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 162472954
2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
CID 163862522
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
3-(2-chlorophenyl)dibenzofuran
CID 138667405
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 130232493
2-dibenzofuran-3-yl-4-(7,7-dimethylbenzo[c]fluoren-5-yl)-6-phenyl-1,3,5-triazine
CID 155474303
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
2-dibenzofuran-3-yl-3-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)quinoxaline
CID 163833115
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
CID 142752896

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine?
The IUPAC name of 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine (CID 151052453) is 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine.
What is the SMILES notation for 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine?
The canonical SMILES for 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine is CC1(C)c2ccccc2-c2nc(Cl)c(-c3ccc4c(c3)oc3ccccc34)nc21.
What is the InChIKey of 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine?
The InChIKey is MEKMTQVXYLLZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O/c1-25(2)18-9-5-3-8-17(18)22-23(25)27-21(24(26)28-22)14-11-12-16-15-7-4-6-10-19(15)29-20(16)13-14/h3-13H,1-2H3.
What are the key properties of 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine?
3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine has a molecular weight of 396.88 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine is sourced from PubChem (CID 151052453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).