3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole

C66H39N3S2 — CID 122472183

IUPAC3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)cc(-n6c7ccccc7c7ccccc76)c5)ccc43)cc12
InChIInChI=1S/C66H39N3S2/c1-7-19-57-47(13-1)48-14-2-8-20-58(48)69(57)46-34-42(40-25-29-61-53(36-40)49-15-3-9-21-59(49)67(61)44-27-31-65-55(38-44)51-17-5-11-23-63(51)70-65)33-43(35-46)41-26-30-62-54(37-41)50-16-4-10-22-60(50)68(62)45-28-32-66-56(39-45)52-18-6-12-24-64(52)71-66/h1-39H
InChIKeyDTZFZDCVNYFWET-UHFFFAOYSA-N
MW938.19 g/mol
LogP19.05
Rot. Bonds5

About 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole

3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole (PubChem CID 122472183) has the molecular formula C66H39N3S2 and a molecular weight of 938.19 g/mol. Its IUPAC name is 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
PubChem CID122472183
Molecular FormulaC66H39N3S2
Molecular Weight938.19 g/mol
Exact Mass937.26
IUPAC Name3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)cc(-n6c7ccccc7c7ccccc76)c5)ccc43)cc12
InChIInChI=1S/C66H39N3S2/c1-7-19-57-47(13-1)48-14-2-8-20-58(48)69(57)46-34-42(40-25-29-61-53(36-40)49-15-3-9-21-59(49)67(61)44-27-31-65-55(38-44)51-17-5-11-23-63(51)70-65)33-43(35-46)41-26-30-62-54(37-41)50-16-4-10-22-60(50)68(62)45-28-32-66-56(39-45)52-18-6-12-24-64(52)71-66/h1-39H
InChIKeyDTZFZDCVNYFWET-UHFFFAOYSA-N
XLogP19.05
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.19
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 144619443
CID 144619443
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
7-dibenzothiophen-2-yl-5-(3,5-diphenylphenyl)indolo[2,3-b]carbazole
CID 170111743
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole?
The IUPAC name of 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole (CID 122472183) is 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole.
What is the SMILES notation for 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole?
The canonical SMILES for 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole is c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)cc(-n6c7ccccc7c7ccccc76)c5)ccc43)cc12.
What is the InChIKey of 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole?
The InChIKey is DTZFZDCVNYFWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3S2/c1-7-19-57-47(13-1)48-14-2-8-20-58(48)69(57)46-34-42(40-25-29-61-53(36-40)49-15-3-9-21-59(49)67(61)44-27-31-65-55(38-44)51-17-5-11-23-63(51)70-65)33-43(35-46)41-26-30-62-54(37-41)50-16-4-10-22-60(50)68(62)45-28-32-66-56(39-45)52-18-6-12-24-64(52)71-66/h1-39H.
What are the key properties of 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole?
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole has a molecular weight of 938.19 g/mol, XLogP of 19.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole is sourced from PubChem (CID 122472183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).