5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole

C46H28N2S — CID 167243841

IUPAC5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C46H28N2S/c1-2-13-33(14-3-1)47-40-18-8-6-15-34(40)37-26-31(21-23-41(37)47)32-22-24-42-38(27-32)39-25-29-11-4-5-12-30(29)28-44(39)48(42)43-19-10-17-36-35-16-7-9-20-45(35)49-46(36)43/h1-28H
InChIKeyMQDZZPNJJZJREH-UHFFFAOYSA-N
MW640.81 g/mol
LogP13.07
Rot. Bonds3

About 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole

5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 167243841) has the molecular formula C46H28N2S and a molecular weight of 640.81 g/mol. Its IUPAC name is 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
PubChem CID167243841
Molecular FormulaC46H28N2S
Molecular Weight640.81 g/mol
Exact Mass640.20
IUPAC Name5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C46H28N2S/c1-2-13-33(14-3-1)47-40-18-8-6-15-34(40)37-26-31(21-23-41(37)47)32-22-24-42-38(27-32)39-25-29-11-4-5-12-30(29)28-44(39)48(42)43-19-10-17-36-35-16-7-9-20-45(35)49-46(36)43/h1-28H
InChIKeyMQDZZPNJJZJREH-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

3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243897
3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534088
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole (CID 167243841) is 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.
What is the InChIKey of 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is MQDZZPNJJZJREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2S/c1-2-13-33(14-3-1)47-40-18-8-6-15-34(40)37-26-31(21-23-41(37)47)32-22-24-42-38(27-32)39-25-29-11-4-5-12-30(29)28-44(39)48(42)43-19-10-17-36-35-16-7-9-20-45(35)49-46(36)43/h1-28H.
What are the key properties of 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
5-dibenzothiophen-4-yl-2-(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 5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 167243841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).