5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole

C54H34N2OS — CID 71232555

IUPAC5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(Oc4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccc5sc6ccccc6c5c4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2OS/c1-4-14-35(15-5-1)37-26-29-45-43(32-37)53-47(55(45)39-18-8-3-9-19-39)21-12-23-49(53)57-50-24-13-22-48-54(50)44-33-38(36-16-6-2-7-17-36)27-30-46(44)56(48)40-28-31-52-42(34-40)41-20-10-11-25-51(41)58-52/h1-34H
InChIKeyBQGNSGUBVZBHLC-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.38
Rot. Bonds6

About 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole

5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole (PubChem CID 71232555) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole.

Molecular Properties

Compound Name5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole
PubChem CID71232555
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(Oc4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccc5sc6ccccc6c5c4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2OS/c1-4-14-35(15-5-1)37-26-29-45-43(32-37)53-47(55(45)39-18-8-3-9-19-39)21-12-23-49(53)57-50-24-13-22-48-54(50)44-33-38(36-16-6-2-7-17-36)27-30-46(44)56(48)40-28-31-52-42(34-40)41-20-10-11-25-51(41)58-52/h1-34H
InChIKeyBQGNSGUBVZBHLC-UHFFFAOYSA-N
XLogP15.38
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
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
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
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
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
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
3-[9-(3-dibenzothiophen-2-ylphenyl)-6-phenylcarbazol-3-yl]oxy-6,9-diphenylcarbazole
CID 71232541
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724

Frequently Asked Questions

What is the IUPAC name of 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole?
The IUPAC name of 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole (CID 71232555) is 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole.
What is the SMILES notation for 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole?
The canonical SMILES for 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2c(Oc4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccc5sc6ccccc6c5c4)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole?
The InChIKey is BQGNSGUBVZBHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-4-14-35(15-5-1)37-26-29-45-43(32-37)53-47(55(45)39-18-8-3-9-19-39)21-12-23-49(53)57-50-24-13-22-48-54(50)44-33-38(36-16-6-2-7-17-36)27-30-46(44)56(48)40-28-31-52-42(34-40)41-20-10-11-25-51(41)58-52/h1-34H.
What are the key properties of 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole?
5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole has a molecular weight of 758.95 g/mol, XLogP of 15.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-dibenzothiophen-2-yl-6-phenylcarbazol-4-yl)oxy-3,9-diphenylcarbazole is sourced from PubChem (CID 71232555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).