3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C58H36N4O — CID 118503233

IUPAC3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C58H36N4O/c1-4-14-37(15-5-1)50-36-51(38-16-6-2-7-17-38)60-58(59-50)62-52-22-12-10-20-44(52)46-32-39(26-30-55(46)62)40-24-28-53-47(33-40)48-34-41(25-29-54(48)61(53)43-18-8-3-9-19-43)42-27-31-57-49(35-42)45-21-11-13-23-56(45)63-57/h1-36H
InChIKeyHBWGWFHBDMBHPJ-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.24
Rot. Bonds6

About 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118503233) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID118503233
Molecular FormulaC58H36N4O
Molecular Weight804.95 g/mol
Exact Mass804.29
IUPAC Name3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C58H36N4O/c1-4-14-37(15-5-1)50-36-51(38-16-6-2-7-17-38)60-58(59-50)62-52-22-12-10-20-44(52)46-32-39(26-30-55(46)62)40-24-28-53-47(33-40)48-34-41(25-29-54(48)61(53)43-18-8-3-9-19-43)42-27-31-57-49(35-42)45-21-11-13-23-56(45)63-57/h1-36H
InChIKeyHBWGWFHBDMBHPJ-UHFFFAOYSA-N
XLogP15.24
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
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
12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole
CID 140904004
3-[9-[4-(8-isocyanodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 123595842
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003
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
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
7-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 134237088
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
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-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 118503233) is 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is HBWGWFHBDMBHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-4-14-37(15-5-1)50-36-51(38-16-6-2-7-17-38)60-58(59-50)62-52-22-12-10-20-44(52)46-32-39(26-30-55(46)62)40-24-28-53-47(33-40)48-34-41(25-29-54(48)61(53)43-18-8-3-9-19-43)42-27-31-57-49(35-42)45-21-11-13-23-56(45)63-57/h1-36H.
What are the key properties of 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 804.95 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118503233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).