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

C54H34N2S — CID 170072587

IUPAC6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)39-23-27-43-46-32-38(25-29-51(46)56(52(43)33-39)48-20-10-7-17-41(48)36-15-5-2-6-16-36)37-24-28-50-45(31-37)42-18-8-11-21-49(42)55(50)40-26-30-54-47(34-40)44-19-9-12-22-53(44)57-54/h1-34H
InChIKeyDLEZHUIHWFWQNB-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

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

6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole (PubChem CID 170072587) 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)-2-phenyl-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
PubChem CID170072587
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)39-23-27-43-46-32-38(25-29-51(46)56(52(43)33-39)48-20-10-7-17-41(48)36-15-5-2-6-16-36)37-24-28-50-45(31-37)42-18-8-11-21-49(42)55(50)40-26-30-54-47(34-40)44-19-9-12-22-53(44)57-54/h1-34H
InChIKeyDLEZHUIHWFWQNB-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)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
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
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
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
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
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
CID 144619443
CID 144619443
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole?
The IUPAC name of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole (CID 170072587) is 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1.
What is the InChIKey of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole?
The InChIKey is DLEZHUIHWFWQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-13-35(14-4-1)39-23-27-43-46-32-38(25-29-51(46)56(52(43)33-39)48-20-10-7-17-41(48)36-15-5-2-6-16-36)37-24-28-50-45(31-37)42-18-8-11-21-49(42)55(50)40-26-30-54-47(34-40)44-19-9-12-22-53(44)57-54/h1-34H.
What are the key properties of 6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole?
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-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)-2-phenyl-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 170072587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).