2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole

C37H22N2OS — CID 167453364

IUPAC2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2ccc3c4c(-c5ccccc5)cccc4n(-c4nc5ccc6oc7ccccc7c6c5s4)c3c2)cc1
InChIInChI=1S/C37H22N2OS/c1-3-10-23(11-4-1)25-18-19-27-31(22-25)39(30-16-9-15-26(34(27)30)24-12-5-2-6-13-24)37-38-29-20-21-33-35(36(29)41-37)28-14-7-8-17-32(28)40-33/h1-22H
InChIKeyZLEIDVHZGGZCTQ-UHFFFAOYSA-N
MW542.66 g/mol
LogP10.63
Rot. Bonds3

About 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole

2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 167453364) has the molecular formula C37H22N2OS and a molecular weight of 542.66 g/mol. Its IUPAC name is 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID167453364
Molecular FormulaC37H22N2OS
Molecular Weight542.66 g/mol
Exact Mass542.15
IUPAC Name2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2ccc3c4c(-c5ccccc5)cccc4n(-c4nc5ccc6oc7ccccc7c6c5s4)c3c2)cc1
InChIInChI=1S/C37H22N2OS/c1-3-10-23(11-4-1)25-18-19-27-31(22-25)39(30-16-9-15-26(34(27)30)24-12-5-2-6-13-24)37-38-29-20-21-33-35(36(29)41-37)28-14-7-8-17-32(28)40-33/h1-22H
InChIKeyZLEIDVHZGGZCTQ-UHFFFAOYSA-N
XLogP10.63
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-diphenylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453764
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453696
2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454496
2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453165
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 174338751
9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 165093740
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 160965442
9-[4-carbazol-9-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163941415
9-(4-dibenzofuran-1-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole
CID 171437931
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367
2-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;4-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 158601298
9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 161421501

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 167453364) is 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole is c1ccc(-c2ccc3c4c(-c5ccccc5)cccc4n(-c4nc5ccc6oc7ccccc7c6c5s4)c3c2)cc1.
What is the InChIKey of 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is ZLEIDVHZGGZCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2OS/c1-3-10-23(11-4-1)25-18-19-27-31(22-25)39(30-16-9-15-26(34(27)30)24-12-5-2-6-13-24)37-38-29-20-21-33-35(36(29)41-37)28-14-7-8-17-32(28)40-33/h1-22H.
What are the key properties of 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 542.66 g/mol, XLogP of 10.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167453364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).