3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole

C66H39N3OS — CID 58059124

IUPAC3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole
SMILESc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)cccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C66H39N3OS/c1-7-25-56-46(17-1)47-18-2-8-26-57(47)67(56)43-16-13-15-40(35-43)42-37-55-52-24-14-23-45(65(52)71-66(55)62(38-42)69-59-28-10-3-19-48(59)49-20-4-11-29-60(49)69)41-31-33-61-53(36-41)50-21-5-9-27-58(50)68(61)44-32-34-64-54(39-44)51-22-6-12-30-63(51)70-64/h1-39H
InChIKeyDSQXVHKROMOVLV-UHFFFAOYSA-N
MW922.13 g/mol
LogP18.58
Rot. Bonds5

About 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole

3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole (PubChem CID 58059124) has the molecular formula C66H39N3OS and a molecular weight of 922.13 g/mol. Its IUPAC name is 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole
PubChem CID58059124
Molecular FormulaC66H39N3OS
Molecular Weight922.13 g/mol
Exact Mass921.28
IUPAC Name3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole
SMILESc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)cccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C66H39N3OS/c1-7-25-56-46(17-1)47-18-2-8-26-57(47)67(56)43-16-13-15-40(35-43)42-37-55-52-24-14-23-45(65(52)71-66(55)62(38-42)69-59-28-10-3-19-48(59)49-20-4-11-29-60(49)69)41-31-33-61-53(36-41)50-21-5-9-27-58(50)68(61)44-32-34-64-54(39-44)51-22-6-12-30-63(51)70-64/h1-39H
InChIKeyDSQXVHKROMOVLV-UHFFFAOYSA-N
XLogP18.58
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.13
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole?
The IUPAC name of 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole (CID 58059124) is 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole is c1cc(-c2cc(-n3c4ccccc4c4ccccc43)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)cccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole?
The InChIKey is DSQXVHKROMOVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3OS/c1-7-25-56-46(17-1)47-18-2-8-26-57(47)67(56)43-16-13-15-40(35-43)42-37-55-52-24-14-23-45(65(52)71-66(55)62(38-42)69-59-28-10-3-19-48(59)49-20-4-11-29-60(49)69)41-31-33-61-53(36-41)50-21-5-9-27-58(50)68(61)44-32-34-64-54(39-44)51-22-6-12-30-63(51)70-64/h1-39H.
What are the key properties of 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole?
3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole has a molecular weight of 922.13 g/mol, XLogP of 18.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 58059124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).