2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole

C59H37N3O — CID 118508812

IUPAC2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C59H37N3O/c1-4-15-38(16-5-1)43-34-52(39-17-6-2-7-18-39)60-58(37-43)62-54-32-29-40(41-27-30-47-46-21-10-12-25-53(46)61(55(47)35-41)44-19-8-3-9-20-44)33-51(54)48-31-28-42(36-56(48)62)45-23-14-24-50-49-22-11-13-26-57(49)63-59(45)50/h1-37H
InChIKeyPYROINFXQQFNHU-UHFFFAOYSA-N
MW803.97 g/mol
LogP15.84
Rot. Bonds6

About 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole

2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 118508812) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
PubChem CID118508812
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C59H37N3O/c1-4-15-38(16-5-1)43-34-52(39-17-6-2-7-18-39)60-58(37-43)62-54-32-29-40(41-27-30-47-46-21-10-12-25-53(46)61(55(47)35-41)44-19-8-3-9-20-44)33-51(54)48-31-28-42(36-56(48)62)45-23-14-24-50-49-22-11-13-26-57(49)63-59(45)50/h1-37H
InChIKeyPYROINFXQQFNHU-UHFFFAOYSA-N
XLogP15.84
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
2-[3-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 130465762
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286800
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 165023898
1-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-9-phenylcarbazole
CID 157097592

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole (CID 118508812) is 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is PYROINFXQQFNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-4-15-38(16-5-1)43-34-52(39-17-6-2-7-18-39)60-58(37-43)62-54-32-29-40(41-27-30-47-46-21-10-12-25-53(46)61(55(47)35-41)44-19-8-3-9-20-44)33-51(54)48-31-28-42(36-56(48)62)45-23-14-24-50-49-22-11-13-26-57(49)63-59(45)50/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole?
2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 803.97 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 118508812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).