9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole

C29H18N2S — CID 123435410

IUPAC9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole
SMILESc1ccc(-c2cnc(-n3c4ccccc4c4cc5sccc5cc43)c3ccccc23)cc1
InChIInChI=1S/C29H18N2S/c1-2-8-19(9-3-1)25-18-30-29(23-12-5-4-10-21(23)25)31-26-13-7-6-11-22(26)24-17-28-20(14-15-32-28)16-27(24)31/h1-18H
InChIKeyQNEOLDYTWCVXLB-UHFFFAOYSA-N
MW426.54 g/mol
LogP8.21
Rot. Bonds2

About 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole

9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole (PubChem CID 123435410) has the molecular formula C29H18N2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole.

Molecular Properties

Compound Name9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole
PubChem CID123435410
Molecular FormulaC29H18N2S
Molecular Weight426.54 g/mol
Exact Mass426.12
IUPAC Name9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole
SMILESc1ccc(-c2cnc(-n3c4ccccc4c4cc5sccc5cc43)c3ccccc23)cc1
InChIInChI=1S/C29H18N2S/c1-2-8-19(9-3-1)25-18-30-29(23-12-5-4-10-21(23)25)31-26-13-7-6-11-22(26)24-17-28-20(14-15-32-28)16-27(24)31/h1-18H
InChIKeyQNEOLDYTWCVXLB-UHFFFAOYSA-N
XLogP8.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole?
The IUPAC name of 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole (CID 123435410) is 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole.
What is the SMILES notation for 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole?
The canonical SMILES for 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole is c1ccc(-c2cnc(-n3c4ccccc4c4cc5sccc5cc43)c3ccccc23)cc1.
What is the InChIKey of 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole?
The InChIKey is QNEOLDYTWCVXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2S/c1-2-8-19(9-3-1)25-18-30-29(23-12-5-4-10-21(23)25)31-26-13-7-6-11-22(26)24-17-28-20(14-15-32-28)16-27(24)31/h1-18H.
What are the key properties of 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole?
9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole has a molecular weight of 426.54 g/mol, XLogP of 8.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylisoquinolin-1-yl)thieno[3,2-b]carbazole is sourced from PubChem (CID 123435410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).