3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole

C54H32N2S2 — CID 58059112

IUPAC3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C54H32N2S2/c1-2-13-33(14-3-1)36-31-44-43-30-35(26-28-52(43)58-54(44)50(32-36)56-45-20-8-4-15-37(45)38-16-5-9-21-46(38)56)34-25-27-48-42(29-34)39-17-6-10-22-47(39)55(48)49-23-12-19-41-40-18-7-11-24-51(40)57-53(41)49/h1-32H
InChIKeyIZLCPNRJODEDBN-UHFFFAOYSA-N
MW773.00 g/mol
LogP15.95
Rot. Bonds4

About 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole

3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole (PubChem CID 58059112) has the molecular formula C54H32N2S2 and a molecular weight of 773.00 g/mol. Its IUPAC name is 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
PubChem CID58059112
Molecular FormulaC54H32N2S2
Molecular Weight773.00 g/mol
Exact Mass772.20
IUPAC Name3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C54H32N2S2/c1-2-13-33(14-3-1)36-31-44-43-30-35(26-28-52(43)58-54(44)50(32-36)56-45-20-8-4-15-37(45)38-16-5-9-21-46(38)56)34-25-27-48-42(29-34)39-17-6-10-22-47(39)55(48)49-23-12-19-41-40-18-7-11-24-51(40)57-53(41)49/h1-32H
InChIKeyIZLCPNRJODEDBN-UHFFFAOYSA-N
XLogP15.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
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-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
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
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
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
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
3-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 155379459

Frequently Asked Questions

What is the IUPAC name of 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole (CID 58059112) is 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c3c2)cc1.
What is the InChIKey of 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole?
The InChIKey is IZLCPNRJODEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2S2/c1-2-13-33(14-3-1)36-31-44-43-30-35(26-28-52(43)58-54(44)50(32-36)56-45-20-8-4-15-37(45)38-16-5-9-21-46(38)56)34-25-27-48-42(29-34)39-17-6-10-22-47(39)55(48)49-23-12-19-41-40-18-7-11-24-51(40)57-53(41)49/h1-32H.
What are the key properties of 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole?
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole has a molecular weight of 773.00 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 58059112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).