3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole

C47H28FN3S — CID 121276725

IUPAC3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2sc3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C47H28FN3S/c48-32-20-24-46-39(28-32)38-27-31(19-23-45(38)52-46)40-13-8-16-47(49-40)51-42-15-7-5-12-35(42)37-26-30(18-22-44(37)51)29-17-21-43-36(25-29)34-11-4-6-14-41(34)50(43)33-9-2-1-3-10-33/h1-28H
InChIKeyOKHLJXYJOIIQBD-UHFFFAOYSA-N
MW685.83 g/mol
LogP13.12
Rot. Bonds4

About 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121276725) has the molecular formula C47H28FN3S and a molecular weight of 685.83 g/mol. Its IUPAC name is 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID121276725
Molecular FormulaC47H28FN3S
Molecular Weight685.83 g/mol
Exact Mass685.20
IUPAC Name3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2sc3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C47H28FN3S/c48-32-20-24-46-39(28-32)38-27-31(19-23-45(38)52-46)40-13-8-16-47(49-40)51-42-15-7-5-12-35(42)37-26-30(18-22-44(37)51)29-17-21-43-36(25-29)34-11-4-6-14-41(34)50(43)33-9-2-1-3-10-33/h1-28H
InChIKeyOKHLJXYJOIIQBD-UHFFFAOYSA-N
XLogP13.12
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.83
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (CID 121276725) is 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole is Fc1ccc2sc3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1.
What is the InChIKey of 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is OKHLJXYJOIIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28FN3S/c48-32-20-24-46-39(28-32)38-27-31(19-23-45(38)52-46)40-13-8-16-47(49-40)51-42-15-7-5-12-35(42)37-26-30(18-22-44(37)51)29-17-21-43-36(25-29)34-11-4-6-14-41(34)50(43)33-9-2-1-3-10-33/h1-28H.
What are the key properties of 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 685.83 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[6-(8-fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).