11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole

C47H28N2S2 — CID 118154364

IUPAC11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C47H28N2S2/c1-2-12-29(13-3-1)30-14-10-15-31(24-30)40-25-32(26-41(48-40)37-20-11-19-36-34-17-5-9-23-45(34)51-47(36)37)49-42-21-7-4-16-33(42)38-28-46-39(27-43(38)49)35-18-6-8-22-44(35)50-46/h1-28H
InChIKeyWECMZHAQWLSPNN-UHFFFAOYSA-N
MW684.89 g/mol
LogP13.92
Rot. Bonds4

About 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole

11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 118154364) has the molecular formula C47H28N2S2 and a molecular weight of 684.89 g/mol. Its IUPAC name is 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID118154364
Molecular FormulaC47H28N2S2
Molecular Weight684.89 g/mol
Exact Mass684.17
IUPAC Name11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C47H28N2S2/c1-2-12-29(13-3-1)30-14-10-15-31(24-30)40-25-32(26-41(48-40)37-20-11-19-36-34-17-5-9-23-45(34)51-47(36)37)49-42-21-7-4-16-33(42)38-28-46-39(27-43(38)49)35-18-6-8-22-44(35)50-46/h1-28H
InChIKeyWECMZHAQWLSPNN-UHFFFAOYSA-N
XLogP13.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.89
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]carbazole;1-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-9-phenylcarbazole;1-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole;2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 161137452
11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154269
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
11-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118154031
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502936
4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 118154323
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
9-[4-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225566
11-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 161105091
5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 130417437
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303

Frequently Asked Questions

What is the IUPAC name of 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole (CID 118154364) is 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.
What is the InChIKey of 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is WECMZHAQWLSPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2S2/c1-2-12-29(13-3-1)30-14-10-15-31(24-30)40-25-32(26-41(48-40)37-20-11-19-36-34-17-5-9-23-45(34)51-47(36)37)49-42-21-7-4-16-33(42)38-28-46-39(27-43(38)49)35-18-6-8-22-44(35)50-46/h1-28H.
What are the key properties of 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 684.89 g/mol, XLogP of 13.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 118154364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).