2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole

C60H39NS — CID 122492281

IUPAC2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)c2)cc1
InChIInChI=1S/C60H39NS/c1-3-15-40(16-4-1)42-19-11-21-44(33-42)46-23-13-24-51(38-46)61-57-29-9-7-25-53(57)54-32-31-47(39-58(54)61)49-35-48(45-22-12-20-43(34-45)41-17-5-2-6-18-41)36-50(37-49)52-27-14-28-56-55-26-8-10-30-59(55)62-60(52)56/h1-39H
InChIKeyAEQFFKGSTCXJMO-UHFFFAOYSA-N
MW806.05 g/mol
LogP17.15
Rot. Bonds7

About 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole

2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole (PubChem CID 122492281) has the molecular formula C60H39NS and a molecular weight of 806.05 g/mol. Its IUPAC name is 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
PubChem CID122492281
Molecular FormulaC60H39NS
Molecular Weight806.05 g/mol
Exact Mass805.28
IUPAC Name2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)c2)cc1
InChIInChI=1S/C60H39NS/c1-3-15-40(16-4-1)42-19-11-21-44(33-42)46-23-13-24-51(38-46)61-57-29-9-7-25-53(57)54-32-31-47(39-58(54)61)49-35-48(45-22-12-20-43(34-45)41-17-5-2-6-18-41)36-50(37-49)52-27-14-28-56-55-26-8-10-30-59(55)62-60(52)56/h1-39H
InChIKeyAEQFFKGSTCXJMO-UHFFFAOYSA-N
XLogP17.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.05
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
9-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 146179615
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole (CID 122492281) is 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)c2)cc1.
What is the InChIKey of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is AEQFFKGSTCXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NS/c1-3-15-40(16-4-1)42-19-11-21-44(33-42)46-23-13-24-51(38-46)61-57-29-9-7-25-53(57)54-32-31-47(39-58(54)61)49-35-48(45-22-12-20-43(34-45)41-17-5-2-6-18-41)36-50(37-49)52-27-14-28-56-55-26-8-10-30-59(55)62-60(52)56/h1-39H.
What are the key properties of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole?
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole has a molecular weight of 806.05 g/mol, XLogP of 17.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 122492281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).