3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole

C42H25NS2 — CID 135131439

IUPAC3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H25NS2/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-41-35(24-28)31-10-4-6-12-39(31)44-41)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-40(32)45-42/h1-25H
InChIKeyCLEXGXBAOOWMEV-UHFFFAOYSA-N
MW607.80 g/mol
LogP12.85
Rot. Bonds3

About 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole

3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole (PubChem CID 135131439) has the molecular formula C42H25NS2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
PubChem CID135131439
Molecular FormulaC42H25NS2
Molecular Weight607.80 g/mol
Exact Mass607.14
IUPAC Name3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H25NS2/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-41-35(24-28)31-10-4-6-12-39(31)44-41)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-40(32)45-42/h1-25H
InChIKeyCLEXGXBAOOWMEV-UHFFFAOYSA-N
XLogP12.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole?
The IUPAC name of 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole (CID 135131439) is 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole?
The InChIKey is CLEXGXBAOOWMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS2/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-41-35(24-28)31-10-4-6-12-39(31)44-41)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-40(32)45-42/h1-25H.
What are the key properties of 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole?
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole has a molecular weight of 607.80 g/mol, XLogP of 12.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 135131439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).