5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole

C36H21N3O — CID 139361609

IUPAC5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc3oc4ccccc4c3c2)c2nccnc12
InChIInChI=1S/C36H21N3O/c1-2-8-23-21-32-28(19-22(23)7-1)26-9-3-5-11-30(26)39(32)31-15-14-25(35-36(31)38-18-17-37-35)24-13-16-34-29(20-24)27-10-4-6-12-33(27)40-34/h1-21H
InChIKeySQHRUFNRSNITAM-UHFFFAOYSA-N
MW511.58 g/mol
LogP9.45
Rot. Bonds2

About 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole

5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole (PubChem CID 139361609) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole
PubChem CID139361609
Molecular FormulaC36H21N3O
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc3oc4ccccc4c3c2)c2nccnc12
InChIInChI=1S/C36H21N3O/c1-2-8-23-21-32-28(19-22(23)7-1)26-9-3-5-11-30(26)39(32)31-15-14-25(35-36(31)38-18-17-37-35)24-13-16-34-29(20-24)27-10-4-6-12-33(27)40-34/h1-21H
InChIKeySQHRUFNRSNITAM-UHFFFAOYSA-N
XLogP9.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole?
The IUPAC name of 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole (CID 139361609) is 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole?
The canonical SMILES for 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc3oc4ccccc4c3c2)c2nccnc12.
What is the InChIKey of 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole?
The InChIKey is SQHRUFNRSNITAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c1-2-8-23-21-32-28(19-22(23)7-1)26-9-3-5-11-30(26)39(32)31-15-14-25(35-36(31)38-18-17-37-35)24-13-16-34-29(20-24)27-10-4-6-12-33(27)40-34/h1-21H.
What are the key properties of 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole?
5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole has a molecular weight of 511.58 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-dibenzofuran-2-ylquinoxalin-5-yl)benzo[b]carbazole is sourced from PubChem (CID 139361609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).