9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole

C60H39NS — CID 166037170

IUPAC9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C60H39NS/c1-3-12-40(13-4-1)42-22-26-44(27-23-42)47-30-33-57-53(37-47)54-38-48(45-28-24-43(25-29-45)41-14-5-2-6-15-41)31-34-58(54)61(57)56-20-9-7-18-51(56)50-17-11-16-46(36-50)49-32-35-60-55(39-49)52-19-8-10-21-59(52)62-60/h1-39H
InChIKeyQXBUQPSRBNUZDX-UHFFFAOYSA-N
MW806.05 g/mol
LogP17.15
Rot. Bonds7

About 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole

9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole (PubChem CID 166037170) has the molecular formula C60H39NS and a molecular weight of 806.05 g/mol. Its IUPAC name is 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
PubChem CID166037170
Molecular FormulaC60H39NS
Molecular Weight806.05 g/mol
Exact Mass805.28
IUPAC Name9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C60H39NS/c1-3-12-40(13-4-1)42-22-26-44(27-23-42)47-30-33-57-53(37-47)54-38-48(45-28-24-43(25-29-45)41-14-5-2-6-15-41)31-34-58(54)61(57)56-20-9-7-18-51(56)50-17-11-16-46(36-50)49-32-35-60-55(39-49)52-19-8-10-21-59(52)62-60/h1-39H
InChIKeyQXBUQPSRBNUZDX-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

9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
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
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 166010937

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole?
The IUPAC name of 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole (CID 166037170) is 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole.
What is the SMILES notation for 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole?
The canonical SMILES for 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole?
The InChIKey is QXBUQPSRBNUZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NS/c1-3-12-40(13-4-1)42-22-26-44(27-23-42)47-30-33-57-53(37-47)54-38-48(45-28-24-43(25-29-45)41-14-5-2-6-15-41)31-34-58(54)61(57)56-20-9-7-18-51(56)50-17-11-16-46(36-50)49-32-35-60-55(39-49)52-19-8-10-21-59(52)62-60/h1-39H.
What are the key properties of 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole?
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)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 9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole is sourced from PubChem (CID 166037170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).