6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole

C56H34N4O — CID 142568797

IUPAC6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C56H34N4O/c1-2-14-35(15-3-1)54-46-21-4-8-24-48(46)57-56(58-54)60-51-31-29-39(59-49-25-9-5-18-41(49)42-19-6-10-26-50(42)59)34-47(51)45-23-13-22-40(55(45)60)38-17-12-16-36(32-38)37-28-30-44-43-20-7-11-27-52(43)61-53(44)33-37/h1-34H
InChIKeyCFEPTFLFKXLCSA-UHFFFAOYSA-N
MW778.92 g/mol
LogP14.72
Rot. Bonds5

About 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole

6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 142568797) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID142568797
Molecular FormulaC56H34N4O
Molecular Weight778.92 g/mol
Exact Mass778.27
IUPAC Name6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C56H34N4O/c1-2-14-35(15-3-1)54-46-21-4-8-24-48(46)57-56(58-54)60-51-31-29-39(59-49-25-9-5-18-41(49)42-19-6-10-26-50(42)59)34-47(51)45-23-13-22-40(55(45)60)38-17-12-16-36(32-38)37-28-30-44-43-20-7-11-27-52(43)61-53(44)33-37/h1-34H
InChIKeyCFEPTFLFKXLCSA-UHFFFAOYSA-N
XLogP14.72
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142569509
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
CID 142568683
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole
CID 159135063
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678232
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole (CID 142568797) is 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole is c1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is CFEPTFLFKXLCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-2-14-35(15-3-1)54-46-21-4-8-24-48(46)57-56(58-54)60-51-31-29-39(59-49-25-9-5-18-41(49)42-19-6-10-26-50(42)59)34-47(51)45-23-13-22-40(55(45)60)38-17-12-16-36(32-38)37-28-30-44-43-20-7-11-27-52(43)61-53(44)33-37/h1-34H.
What are the key properties of 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole?
6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 778.92 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 142568797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).