10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole

C34H21NS — CID 142568734

IUPAC10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole
SMILESc1cc(-c2cccc3c2[nH]c2c4ccccc4ccc32)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C34H21NS/c1-2-11-25-21(8-1)18-19-28-27-15-6-14-26(34(27)35-33(25)28)23-10-5-9-22(20-23)24-13-7-17-31-32(24)29-12-3-4-16-30(29)36-31/h1-20,35H
InChIKeyCHZFGBWEWPJIRE-UHFFFAOYSA-N
MW475.62 g/mol
LogP10.18
Rot. Bonds2

About 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole

10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole (PubChem CID 142568734) has the molecular formula C34H21NS and a molecular weight of 475.62 g/mol. Its IUPAC name is 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole.

Molecular Properties

Compound Name10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole
PubChem CID142568734
Molecular FormulaC34H21NS
Molecular Weight475.62 g/mol
Exact Mass475.14
IUPAC Name10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole
SMILESc1cc(-c2cccc3c2[nH]c2c4ccccc4ccc32)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C34H21NS/c1-2-11-25-21(8-1)18-19-28-27-15-6-14-26(34(27)35-33(25)28)23-10-5-9-22(20-23)24-13-7-17-31-32(24)29-12-3-4-16-30(29)36-31/h1-20,35H
InChIKeyCHZFGBWEWPJIRE-UHFFFAOYSA-N
XLogP10.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen
CID 142569776
1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
CID 142570567
10-(3-dibenzofuran-1-ylphenyl)-11H-benzo[a]carbazole
CID 142569588
10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole
CID 142569615
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
7-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972797
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089
1-phenyldibenzothiophene;hydrobromide
CID 174679709
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170040977
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929

Frequently Asked Questions

What is the IUPAC name of 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole?
The IUPAC name of 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole (CID 142568734) is 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole.
What is the SMILES notation for 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole?
The canonical SMILES for 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole is c1cc(-c2cccc3c2[nH]c2c4ccccc4ccc32)cc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole?
The InChIKey is CHZFGBWEWPJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS/c1-2-11-25-21(8-1)18-19-28-27-15-6-14-26(34(27)35-33(25)28)23-10-5-9-22(20-23)24-13-7-17-31-32(24)29-12-3-4-16-30(29)36-31/h1-20,35H.
What are the key properties of 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole?
10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole has a molecular weight of 475.62 g/mol, XLogP of 10.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole is sourced from PubChem (CID 142568734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).