3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole

C54H34N2S2 — CID 162055405

IUPAC3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)[nH]c1ccc(-c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C30H19NS.C24H15NS/c1-2-9-21(10-3-1)31-27-15-6-4-11-23(27)26-19-20(17-18-28(26)31)22-13-8-14-25-24-12-5-7-16-29(24)32-30(22)25;1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-19H;1-14,25H
InChIKeyYZCMTZOFSBOAIO-UHFFFAOYSA-N
MW775.01 g/mol
LogP16.17
Rot. Bonds3

About 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole

3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole (PubChem CID 162055405) has the molecular formula C54H34N2S2 and a molecular weight of 775.01 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
PubChem CID162055405
Molecular FormulaC54H34N2S2
Molecular Weight775.01 g/mol
Exact Mass774.22
IUPAC Name3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)[nH]c1ccc(-c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C30H19NS.C24H15NS/c1-2-9-21(10-3-1)31-27-15-6-4-11-23(27)26-19-20(17-18-28(26)31)22-13-8-14-25-24-12-5-7-16-29(24)32-30(22)25;1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-19H;1-14,25H
InChIKeyYZCMTZOFSBOAIO-UHFFFAOYSA-N
XLogP16.17
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 516.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;3-[3-(9H-carbazol-1-yl)-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole;3-[3-dibenzothiophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole
CID 162194345
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
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
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole
CID 145305657
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 118534268

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole (CID 162055405) is 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)[nH]c1ccc(-c3cccc4c3sc3ccccc34)cc12.
What is the InChIKey of 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole?
The InChIKey is YZCMTZOFSBOAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NS.C24H15NS/c1-2-9-21(10-3-1)31-27-15-6-4-11-23(27)26-19-20(17-18-28(26)31)22-13-8-14-25-24-12-5-7-16-29(24)32-30(22)25;1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-19H;1-14,25H.
What are the key properties of 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole?
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole has a molecular weight of 775.01 g/mol, XLogP of 16.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole is sourced from PubChem (CID 162055405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).