3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole

C54H34N2S — CID 155305939

IUPAC3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)39-29-40(38-23-26-46-45-19-9-12-22-53(45)57-54(46)34-38)31-42(30-39)56-50-21-11-8-18-44(50)48-33-37(25-28-52(48)56)36-24-27-51-47(32-36)43-17-7-10-20-49(43)55(51)41-15-5-2-6-16-41/h1-34H
InChIKeyFCMLLLLOCYBSCC-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 155305939) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID155305939
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)39-29-40(38-23-26-46-45-19-9-12-22-53(45)57-54(46)34-38)31-42(30-39)56-50-21-11-8-18-44(50)48-33-37(25-28-52(48)56)36-24-27-51-47(32-36)43-17-7-10-20-49(43)55(51)41-15-5-2-6-16-41/h1-34H
InChIKeyFCMLLLLOCYBSCC-UHFFFAOYSA-N
XLogP15.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
10-dibenzothiophen-3-yl-23-(3,5-diphenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324813
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
3-[3-carbazol-9-yl-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole
CID 154950110
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
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
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole (CID 155305939) is 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is FCMLLLLOCYBSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-13-35(14-4-1)39-29-40(38-23-26-46-45-19-9-12-22-53(45)57-54(46)34-38)31-42(30-39)56-50-21-11-8-18-44(50)48-33-37(25-28-52(48)56)36-24-27-51-47(32-36)43-17-7-10-20-49(43)55(51)41-15-5-2-6-16-41/h1-34H.
What are the key properties of 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 742.95 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 155305939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).