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

C47H28FN3O — CID 121276705

IUPAC3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1
InChIInChI=1S/C47H28FN3O/c48-32-20-24-46-39(28-32)38-26-31(19-23-45(38)52-46)40-13-8-16-47(49-40)51-42-15-7-4-11-34(42)36-21-17-30(27-44(36)51)29-18-22-43-37(25-29)35-12-5-6-14-41(35)50(43)33-9-2-1-3-10-33/h1-28H
InChIKeyNDSUGLQNPAHBHC-UHFFFAOYSA-N
MW669.76 g/mol
LogP12.65
Rot. Bonds4

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

3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276705) has the molecular formula C47H28FN3O and a molecular weight of 669.76 g/mol. Its IUPAC name is 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276705
Molecular FormulaC47H28FN3O
Molecular Weight669.76 g/mol
Exact Mass669.22
IUPAC Name3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1
InChIInChI=1S/C47H28FN3O/c48-32-20-24-46-39(28-32)38-26-31(19-23-45(38)52-46)40-13-8-16-47(49-40)51-42-15-7-4-11-34(42)36-21-17-30(27-44(36)51)29-18-22-43-37(25-29)35-12-5-6-14-41(35)50(43)33-9-2-1-3-10-33/h1-28H
InChIKeyNDSUGLQNPAHBHC-UHFFFAOYSA-N
XLogP12.65
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.76
LogP ≤ 512.65
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-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole (CID 121276705) is 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole is Fc1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1.
What is the InChIKey of 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is NDSUGLQNPAHBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28FN3O/c48-32-20-24-46-39(28-32)38-26-31(19-23-45(38)52-46)40-13-8-16-47(49-40)51-42-15-7-4-11-34(42)36-21-17-30(27-44(36)51)29-18-22-43-37(25-29)35-12-5-6-14-41(35)50(43)33-9-2-1-3-10-33/h1-28H.
What are the key properties of 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 669.76 g/mol, XLogP of 12.65, 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-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).