3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole

C60H37BrN2S — CID 118289124

IUPAC3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESBrc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C60H37BrN2S/c61-46-28-24-39(25-29-46)43-32-44(41-26-30-56-52(36-41)48-16-4-7-20-54(48)62(56)47-15-10-14-40(35-47)38-12-2-1-3-13-38)34-45(33-43)42-27-31-57-53(37-42)49-17-5-8-21-55(49)63(57)58-22-11-19-51-50-18-6-9-23-59(50)64-60(51)58/h1-37H
InChIKeyHVRBJAWFWJBYOV-UHFFFAOYSA-N
MW897.94 g/mol
LogP17.68
Rot. Bonds6

About 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole

3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole (PubChem CID 118289124) has the molecular formula C60H37BrN2S and a molecular weight of 897.94 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
PubChem CID118289124
Molecular FormulaC60H37BrN2S
Molecular Weight897.94 g/mol
Exact Mass896.19
IUPAC Name3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESBrc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C60H37BrN2S/c61-46-28-24-39(25-29-46)43-32-44(41-26-30-56-52(36-41)48-16-4-7-20-54(48)62(56)47-15-10-14-40(35-47)38-12-2-1-3-13-38)34-45(33-43)42-27-31-57-53(37-42)49-17-5-8-21-55(49)63(57)58-22-11-19-51-50-18-6-9-23-59(50)64-60(51)58/h1-37H
InChIKeyHVRBJAWFWJBYOV-UHFFFAOYSA-N
XLogP17.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.94
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931
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
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 122666262
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
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-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole (CID 118289124) is 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole is Brc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole?
The InChIKey is HVRBJAWFWJBYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37BrN2S/c61-46-28-24-39(25-29-46)43-32-44(41-26-30-56-52(36-41)48-16-4-7-20-54(48)62(56)47-15-10-14-40(35-47)38-12-2-1-3-13-38)34-45(33-43)42-27-31-57-53(37-42)49-17-5-8-21-55(49)63(57)58-22-11-19-51-50-18-6-9-23-59(50)64-60(51)58/h1-37H.
What are the key properties of 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole?
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole has a molecular weight of 897.94 g/mol, XLogP of 17.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 118289124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).