3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole

C47H28FN3S — CID 121276742

IUPAC3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1cccc2c1sc1c(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12
InChIInChI=1S/C47H28FN3S/c48-39-18-9-16-36-35-15-8-17-37(46(35)52-47(36)39)40-19-10-22-45(49-40)51-42-21-7-4-13-32(42)34-25-23-30(28-44(34)51)29-24-26-43-38(27-29)33-14-5-6-20-41(33)50(43)31-11-2-1-3-12-31/h1-28H
InChIKeyAJKUXOWVSYJOPO-UHFFFAOYSA-N
MW685.83 g/mol
LogP13.12
Rot. Bonds4

About 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276742) has the molecular formula C47H28FN3S and a molecular weight of 685.83 g/mol. Its IUPAC name is 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276742
Molecular FormulaC47H28FN3S
Molecular Weight685.83 g/mol
Exact Mass685.20
IUPAC Name3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1cccc2c1sc1c(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12
InChIInChI=1S/C47H28FN3S/c48-39-18-9-16-36-35-15-8-17-37(46(35)52-47(36)39)40-19-10-22-45(49-40)51-42-21-7-4-13-32(42)34-25-23-30(28-44(34)51)29-24-26-43-38(27-29)33-14-5-6-20-41(33)50(43)31-11-2-1-3-12-31/h1-28H
InChIKeyAJKUXOWVSYJOPO-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-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole (CID 121276742) is 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole is Fc1cccc2c1sc1c(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12.
What is the InChIKey of 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is AJKUXOWVSYJOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28FN3S/c48-39-18-9-16-36-35-15-8-17-37(46(35)52-47(36)39)40-19-10-22-45(49-40)51-42-21-7-4-13-32(42)34-25-23-30(28-44(34)51)29-24-26-43-38(27-29)33-14-5-6-20-41(33)50(43)31-11-2-1-3-12-31/h1-28H.
What are the key properties of 3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[6-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-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-(6-fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).