12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole

C39H22N2OS — CID 71291223

IUPAC12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(-c3cccc4c3sc3ccccc34)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc2c1
InChIInChI=1S/C39H22N2OS/c1-5-16-31-23(10-1)30(28-15-9-14-27-25-12-4-8-19-35(25)43-39(27)28)22-36(40-31)41-32-17-6-2-11-24(32)26-20-21-34-37(38(26)41)29-13-3-7-18-33(29)42-34/h1-22H
InChIKeyRNFJTSFFHIRYFT-UHFFFAOYSA-N
MW566.69 g/mol
LogP11.27
Rot. Bonds2

About 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole

12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole (PubChem CID 71291223) has the molecular formula C39H22N2OS and a molecular weight of 566.69 g/mol. Its IUPAC name is 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole
PubChem CID71291223
Molecular FormulaC39H22N2OS
Molecular Weight566.69 g/mol
Exact Mass566.15
IUPAC Name12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(-c3cccc4c3sc3ccccc34)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc2c1
InChIInChI=1S/C39H22N2OS/c1-5-16-31-23(10-1)30(28-15-9-14-27-25-12-4-8-19-35(25)43-39(27)28)22-36(40-31)41-32-17-6-2-11-24(32)26-20-21-34-37(38(26)41)29-13-3-7-18-33(29)42-34/h1-22H
InChIKeyRNFJTSFFHIRYFT-UHFFFAOYSA-N
XLogP11.27
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole (CID 71291223) is 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole is c1ccc2c(-c3cccc4c3sc3ccccc34)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc2c1.
What is the InChIKey of 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole?
The InChIKey is RNFJTSFFHIRYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2OS/c1-5-16-31-23(10-1)30(28-15-9-14-27-25-12-4-8-19-35(25)43-39(27)28)22-36(40-31)41-32-17-6-2-11-24(32)26-20-21-34-37(38(26)41)29-13-3-7-18-33(29)42-34/h1-22H.
What are the key properties of 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole?
12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole has a molecular weight of 566.69 g/mol, XLogP of 11.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 71291223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).