9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole

C53H34N2O — CID 174169267

IUPAC9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)cc(-c8ccccc8)c76)ccc5c34)c2)cc1
InChIInChI=1S/C53H34N2O/c1-5-16-35(17-6-1)39-30-45(37-20-9-3-10-21-37)53-46(31-39)42-24-13-14-26-49(42)55(53)41-28-29-44-51(34-41)56-50-27-15-25-43(52(44)50)48-33-40(36-18-7-2-8-19-36)32-47(54-48)38-22-11-4-12-23-38/h1-34H
InChIKeySJBABWFGHAJFGK-UHFFFAOYSA-N
MW714.87 g/mol
LogP14.41
Rot. Bonds6

About 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole

9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole (PubChem CID 174169267) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole
PubChem CID174169267
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)cc(-c8ccccc8)c76)ccc5c34)c2)cc1
InChIInChI=1S/C53H34N2O/c1-5-16-35(17-6-1)39-30-45(37-20-9-3-10-21-37)53-46(31-39)42-24-13-14-26-49(42)55(53)41-28-29-44-51(34-41)56-50-27-15-25-43(52(44)50)48-33-40(36-18-7-2-8-19-36)32-47(54-48)38-22-11-4-12-23-38/h1-34H
InChIKeySJBABWFGHAJFGK-UHFFFAOYSA-N
XLogP14.41
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168768511
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 166953278
3-[7-(4,6-diphenyl-2-pyridinyl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163917513
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 170253940
3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334035
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146519902
2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768728
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 168768588
2-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;4-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 158601298

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole?
The IUPAC name of 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole (CID 174169267) is 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole.
What is the SMILES notation for 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole?
The canonical SMILES for 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)cc(-c8ccccc8)c76)ccc5c34)c2)cc1.
What is the InChIKey of 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole?
The InChIKey is SJBABWFGHAJFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-5-16-35(17-6-1)39-30-45(37-20-9-3-10-21-37)53-46(31-39)42-24-13-14-26-49(42)55(53)41-28-29-44-51(34-41)56-50-27-15-25-43(52(44)50)48-33-40(36-18-7-2-8-19-36)32-47(54-48)38-22-11-4-12-23-38/h1-34H.
What are the key properties of 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole?
9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole has a molecular weight of 714.87 g/mol, XLogP of 14.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole is sourced from PubChem (CID 174169267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).