9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole

C48H30N2S — CID 140627731

IUPAC9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H30N2S/c1-5-22-43-37(16-1)38-17-2-6-23-44(38)49(43)34-14-9-12-31(28-34)32-26-27-47-42(30-32)41-21-11-20-36(48(41)51-47)33-13-10-15-35(29-33)50-45-24-7-3-18-39(45)40-19-4-8-25-46(40)50/h1-30H
InChIKeySJOQWYLCLSPISI-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole

9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole (PubChem CID 140627731) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
PubChem CID140627731
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H30N2S/c1-5-22-43-37(16-1)38-17-2-6-23-44(38)49(43)34-14-9-12-31(28-34)32-26-27-47-42(30-32)41-21-11-20-36(48(41)51-47)33-13-10-15-35(29-33)50-45-24-7-3-18-39(45)40-19-4-8-25-46(40)50/h1-30H
InChIKeySJOQWYLCLSPISI-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
(Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
CID 144644305
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
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
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
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
N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
CID 129178975
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole (CID 140627731) is 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole is c1cc(-c2ccc3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?
The InChIKey is SJOQWYLCLSPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-5-22-43-37(16-1)38-17-2-6-23-44(38)49(43)34-14-9-12-31(28-34)32-26-27-47-42(30-32)41-21-11-20-36(48(41)51-47)33-13-10-15-35(29-33)50-45-24-7-3-18-39(45)40-19-4-8-25-46(40)50/h1-30H.
What are the key properties of 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole is sourced from PubChem (CID 140627731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).