2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole

C42H26N2S — CID 166134111

IUPAC2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
SMILESc1ccc(-c2cccc3c2[nH]c2ccccc23)c(-c2ccc3c([nH]c4ccccc43)c2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C42H26N2S/c1-2-12-26(30-16-9-17-31-27-13-3-6-19-35(27)43-41(30)31)25(11-1)29-23-24-32-28-14-4-7-20-36(28)44-42(32)40(29)34-18-10-22-38-39(34)33-15-5-8-21-37(33)45-38/h1-24,43-44H
InChIKeyUVHNAMBYDKKDND-UHFFFAOYSA-N
MW590.75 g/mol
LogP12.32
Rot. Bonds3

About 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole

2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole (PubChem CID 166134111) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
PubChem CID166134111
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
SMILESc1ccc(-c2cccc3c2[nH]c2ccccc23)c(-c2ccc3c([nH]c4ccccc43)c2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C42H26N2S/c1-2-12-26(30-16-9-17-31-27-13-3-6-19-35(27)43-41(30)31)25(11-1)29-23-24-32-28-14-4-7-20-36(28)44-42(32)40(29)34-18-10-22-38-39(34)33-15-5-8-21-37(33)45-38/h1-24,43-44H
InChIKeyUVHNAMBYDKKDND-UHFFFAOYSA-N
XLogP12.32
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 512.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166135021
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine
CID 154697120
10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen
CID 142569776
8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531
1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine
CID 154697134
2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline
CID 175875645
7,12-dihydroindeno[1,2-a]carbazole
CID 58472013
1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
CID 142570567

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole (CID 166134111) is 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole is c1ccc(-c2cccc3c2[nH]c2ccccc23)c(-c2ccc3c([nH]c4ccccc43)c2-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole?
The InChIKey is UVHNAMBYDKKDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-2-12-26(30-16-9-17-31-27-13-3-6-19-35(27)43-41(30)31)25(11-1)29-23-24-32-28-14-4-7-20-36(28)44-42(32)40(29)34-18-10-22-38-39(34)33-15-5-8-21-37(33)45-38/h1-24,43-44H.
What are the key properties of 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole?
2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole has a molecular weight of 590.75 g/mol, XLogP of 12.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole is sourced from PubChem (CID 166134111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).