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

C47H28FN3O — CID 121276736

IUPAC3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C47H28FN3O/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
InChIKeySLPSSNGAPWXFNC-UHFFFAOYSA-N
MW669.76 g/mol
LogP12.65
Rot. Bonds4

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

3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121276736) 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-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID121276736
Molecular FormulaC47H28FN3O
Molecular Weight669.76 g/mol
Exact Mass669.22
IUPAC Name3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C47H28FN3O/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
InChIKeySLPSSNGAPWXFNC-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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Related Compounds

3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(8-fluorodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 161101784
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
9-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)carbazol-3-amine;N,4-diphenyl-N-[4-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]phenyl]aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 159353145
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 160598852
3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 90086397
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742

Frequently Asked Questions

What is the IUPAC name of 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (CID 121276736) is 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole is Fc1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1.
What is the InChIKey of 3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is SLPSSNGAPWXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28FN3O/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-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-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-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).