6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole

C46H28N2S — CID 134552439

IUPAC6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc7sc8ccccc8c7c6)c54)ccc32)cc1
InChIInChI=1S/C46H28N2S/c1-2-13-31(14-3-1)47-40-19-9-6-16-34(40)37-28-32(23-24-42(37)47)48-41-20-10-7-17-35(41)39-26-29-12-4-5-15-33(29)45(46(39)48)30-22-25-44-38(27-30)36-18-8-11-21-43(36)49-44/h1-28H
InChIKeyDIIPKIUWJQQUJB-UHFFFAOYSA-N
MW640.81 g/mol
LogP13.07
Rot. Bonds3

About 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole

6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 134552439) has the molecular formula C46H28N2S and a molecular weight of 640.81 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole
PubChem CID134552439
Molecular FormulaC46H28N2S
Molecular Weight640.81 g/mol
Exact Mass640.20
IUPAC Name6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc7sc8ccccc8c7c6)c54)ccc32)cc1
InChIInChI=1S/C46H28N2S/c1-2-13-31(14-3-1)47-40-19-9-6-16-34(40)37-28-32(23-24-42(37)47)48-41-20-10-7-17-35(41)39-26-29-12-4-5-15-33(29)45(46(39)48)30-22-25-44-38(27-30)36-18-8-11-21-43(36)49-44/h1-28H
InChIKeyDIIPKIUWJQQUJB-UHFFFAOYSA-N
XLogP13.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.81
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552694
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
CID 144619443
CID 144619443
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
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-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole (CID 134552439) is 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc7sc8ccccc8c7c6)c54)ccc32)cc1.
What is the InChIKey of 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is DIIPKIUWJQQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2S/c1-2-13-31(14-3-1)47-40-19-9-6-16-34(40)37-28-32(23-24-42(37)47)48-41-20-10-7-17-35(41)39-26-29-12-4-5-15-33(29)45(46(39)48)30-22-25-44-38(27-30)36-18-8-11-21-43(36)49-44/h1-28H.
What are the key properties of 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole has a molecular weight of 640.81 g/mol, XLogP of 13.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 134552439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).