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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Related Compounds

6-[3-Dibenzothiophen-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129086025
4-Dibenzofuran-2-yl-2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129224921
4-(4-Phenylphenyl)-2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129225000
2-([1]Benzothiolo[2,3-b]carbazol-7-yl)-4-[4-methyl-3-(2-phenoxyphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 129234972
12-(4-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 129290134
15-(2-Dibenzofuran-2-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297221
24-(8-Oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 129297268
18-Phenyl-15-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129297902
3-(9-Dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]
CID 129306364
7-Dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223320
7-(4-Dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
7-(2,6-Diphenylpyrimidin-4-yl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223353

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).