3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole

C53H33N3S — CID 118014177

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-13-34(14-4-1)38-31-46(35-15-5-2-6-16-35)54-53(32-38)56-48-21-11-8-18-41(48)44-30-37(24-27-50(44)56)36-23-26-49-43(29-36)40-17-7-10-20-47(40)55(49)39-25-28-52-45(33-39)42-19-9-12-22-51(42)57-52/h1-33H
InChIKeyHVIUTOPUKVLQMQ-UHFFFAOYSA-N
MW743.94 g/mol
LogP14.64
Rot. Bonds5

About 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole (PubChem CID 118014177) has the molecular formula C53H33N3S and a molecular weight of 743.94 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
PubChem CID118014177
Molecular FormulaC53H33N3S
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-13-34(14-4-1)38-31-46(35-15-5-2-6-16-35)54-53(32-38)56-48-21-11-8-18-41(48)44-30-37(24-27-50(44)56)36-23-26-49-43(29-36)40-17-7-10-20-47(40)55(49)39-25-28-52-45(33-39)42-19-9-12-22-51(42)57-52/h1-33H
InChIKeyHVIUTOPUKVLQMQ-UHFFFAOYSA-N
XLogP14.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
CID 88866629
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502936
CID 144619443
CID 144619443
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
CID 139500820
3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole
CID 126627612
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
CID 59413762
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole (CID 118014177) is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole?
The InChIKey is HVIUTOPUKVLQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S/c1-3-13-34(14-4-1)38-31-46(35-15-5-2-6-16-35)54-53(32-38)56-48-21-11-8-18-41(48)44-30-37(24-27-50(44)56)36-23-26-49-43(29-36)40-17-7-10-20-47(40)55(49)39-25-28-52-45(33-39)42-19-9-12-22-51(42)57-52/h1-33H.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole?
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole has a molecular weight of 743.94 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 118014177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).