9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole

C60H37N3S — CID 163960448

IUPAC9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c4)cc3)cccc12
InChIInChI=1S/C60H37N3S/c1-8-25-50-42(16-1)43-17-2-9-26-51(43)61(50)56-36-40(38-32-34-39(35-33-38)41-23-15-24-49-48-22-7-14-31-58(48)64-60(41)49)37-57(62-52-27-10-3-18-44(52)45-19-4-11-28-53(45)62)59(56)63-54-29-12-5-20-46(54)47-21-6-13-30-55(47)63/h1-37H
InChIKeyBPUSDVJIJFLYQX-UHFFFAOYSA-N
MW832.04 g/mol
LogP16.68
Rot. Bonds5

About 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole

9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole (PubChem CID 163960448) has the molecular formula C60H37N3S and a molecular weight of 832.04 g/mol. Its IUPAC name is 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole
PubChem CID163960448
Molecular FormulaC60H37N3S
Molecular Weight832.04 g/mol
Exact Mass831.27
IUPAC Name9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c4)cc3)cccc12
InChIInChI=1S/C60H37N3S/c1-8-25-50-42(16-1)43-17-2-9-26-51(43)61(50)56-36-40(38-32-34-39(35-33-38)41-23-15-24-49-48-22-7-14-31-58(48)64-60(41)49)37-57(62-52-27-10-3-18-44(52)45-19-4-11-28-53(45)62)59(56)63-54-29-12-5-20-46(54)47-21-6-13-30-55(47)63/h1-37H
InChIKeyBPUSDVJIJFLYQX-UHFFFAOYSA-N
XLogP16.68
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.04
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole
CID 126579987
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
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
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934

Frequently Asked Questions

What is the IUPAC name of 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole (CID 163960448) is 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole is c1ccc2c(c1)sc1c(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c4)cc3)cccc12.
What is the InChIKey of 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The InChIKey is BPUSDVJIJFLYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3S/c1-8-25-50-42(16-1)43-17-2-9-26-51(43)61(50)56-36-40(38-32-34-39(35-33-38)41-23-15-24-49-48-22-7-14-31-58(48)64-60(41)49)37-57(62-52-27-10-3-18-44(52)45-19-4-11-28-53(45)62)59(56)63-54-29-12-5-20-46(54)47-21-6-13-30-55(47)63/h1-37H.
What are the key properties of 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole has a molecular weight of 832.04 g/mol, XLogP of 16.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 163960448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).