6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole

C54H34N2S — CID 170072459

IUPAC6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3c3cccc(-c4ccccc4)c32)cc1
InChIInChI=1S/C54H34N2S/c1-3-14-35(15-4-1)40-18-7-10-23-48(40)56-51-30-27-38(33-46(51)44-22-13-21-41(54(44)56)36-16-5-2-6-17-36)37-26-29-50-45(32-37)42-19-8-11-24-49(42)55(50)39-28-31-53-47(34-39)43-20-9-12-25-52(43)57-53/h1-34H
InChIKeyLAIZILHFFNTDMC-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole

6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole (PubChem CID 170072459) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
PubChem CID170072459
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3c3cccc(-c4ccccc4)c32)cc1
InChIInChI=1S/C54H34N2S/c1-3-14-35(15-4-1)40-18-7-10-23-48(40)56-51-30-27-38(33-46(51)44-22-13-21-41(54(44)56)36-16-5-2-6-17-36)37-26-29-50-45(32-37)42-19-8-11-24-49(42)55(50)39-28-31-53-47(34-39)43-20-9-12-25-52(43)57-53/h1-34H
InChIKeyLAIZILHFFNTDMC-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

6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
CID 144619443
CID 144619443
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole?
The IUPAC name of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole (CID 170072459) is 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3c3cccc(-c4ccccc4)c32)cc1.
What is the InChIKey of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole?
The InChIKey is LAIZILHFFNTDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-14-35(15-4-1)40-18-7-10-23-48(40)56-51-30-27-38(33-46(51)44-22-13-21-41(54(44)56)36-16-5-2-6-17-36)37-26-29-50-45(32-37)42-19-8-11-24-49(42)55(50)39-28-31-53-47(34-39)43-20-9-12-25-52(43)57-53/h1-34H.
What are the key properties of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole?
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole 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 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 170072459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).