3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole

C60H36N2S — CID 168811264

IUPAC3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3cccc4c3sc3ccccc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2
InChIInChI=1S/C60H36N2S/c1-2-17-39-38(16-1)40-18-3-5-20-42(40)50-35-53(49-27-15-26-48-47-25-10-14-31-59(47)63-60(48)49)58(36-51(50)43-21-6-4-19-41(39)43)62-56-30-13-9-24-46(56)52-34-37(32-33-57(52)62)61-54-28-11-7-22-44(54)45-23-8-12-29-55(45)61/h1-36H/b40-38-,41-39-,50-42-,51-43-
InChIKeyUXRAEXKYJQAJIN-OAGDQBMQSA-N
MW817.03 g/mol
LogP16.90
Rot. Bonds3

About 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole

3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole (PubChem CID 168811264) has the molecular formula C60H36N2S and a molecular weight of 817.03 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole
PubChem CID168811264
Molecular FormulaC60H36N2S
Molecular Weight817.03 g/mol
Exact Mass816.26
IUPAC Name3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3cccc4c3sc3ccccc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2
InChIInChI=1S/C60H36N2S/c1-2-17-39-38(16-1)40-18-3-5-20-42(40)50-35-53(49-27-15-26-48-47-25-10-14-31-59(47)63-60(48)49)58(36-51(50)43-21-6-4-19-41(39)43)62-56-30-13-9-24-46(56)52-34-37(32-33-57(52)62)61-54-28-11-7-22-44(54)45-23-8-12-29-55(45)61/h1-36H/b40-38-,41-39-,50-42-,51-43-
InChIKeyUXRAEXKYJQAJIN-OAGDQBMQSA-N
XLogP16.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.03
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
6-(3-carbazol-9-ylcarbazol-9-yl)-2,3-di(dibenzothiophen-4-yl)benzonitrile
CID 175635240
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole
CID 71004833
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
3,6-di(carbazol-9-yl)-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155233234
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole (CID 168811264) is 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole is c1ccc2c(c1)-c1ccccc1-c1cc(-c3cccc4c3sc3ccccc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2.
What is the InChIKey of 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole?
The InChIKey is UXRAEXKYJQAJIN-OAGDQBMQSA-N. The full InChI is InChI=1S/C60H36N2S/c1-2-17-39-38(16-1)40-18-3-5-20-42(40)50-35-53(49-27-15-26-48-47-25-10-14-31-59(47)63-60(48)49)58(36-51(50)43-21-6-4-19-41(39)43)62-56-30-13-9-24-46(56)52-34-37(32-33-57(52)62)61-54-28-11-7-22-44(54)45-23-8-12-29-55(45)61/h1-36H/b40-38-,41-39-,50-42-,51-43-.
What are the key properties of 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole?
3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole has a molecular weight of 817.03 g/mol, XLogP of 16.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole is sourced from PubChem (CID 168811264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).