3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole

C51H31N3O — CID 146337871

IUPAC3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c3C4)c3ccccc3n2)cc1
InChIInChI=1S/C51H31N3O/c1-2-12-31(13-3-1)51-52-43-20-7-4-17-38(43)50(53-51)39-19-10-14-34-30-41-37(49(34)39)18-11-22-45(41)54-44-21-8-5-15-35(44)40-28-32(24-26-46(40)54)33-25-27-48-42(29-33)36-16-6-9-23-47(36)55-48/h1-29H,30H2
InChIKeyYEJTZCKBULSHLJ-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.20
Rot. Bonds4

About 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole

3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole (PubChem CID 146337871) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole
PubChem CID146337871
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c3C4)c3ccccc3n2)cc1
InChIInChI=1S/C51H31N3O/c1-2-12-31(13-3-1)51-52-43-20-7-4-17-38(43)50(53-51)39-19-10-14-34-30-41-37(49(34)39)18-11-22-45(41)54-44-21-8-5-15-35(44)40-28-32(24-26-46(40)54)33-25-27-48-42(29-33)36-16-6-9-23-47(36)55-48/h1-29H,30H2
InChIKeyYEJTZCKBULSHLJ-UHFFFAOYSA-N
XLogP13.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146336134
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 166744285
3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole
CID 134594940
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
CID 154947939
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;2,7-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 158774380
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile
CID 122576014
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole (CID 146337871) is 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole is c1ccc(-c2nc(-c3cccc4c3-c3cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c3C4)c3ccccc3n2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole?
The InChIKey is YEJTZCKBULSHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-2-12-31(13-3-1)51-52-43-20-7-4-17-38(43)50(53-51)39-19-10-14-34-30-41-37(49(34)39)18-11-22-45(41)54-44-21-8-5-15-35(44)40-28-32(24-26-46(40)54)33-25-27-48-42(29-33)36-16-6-9-23-47(36)55-48/h1-29H,30H2.
What are the key properties of 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole?
3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole has a molecular weight of 701.83 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[5-(2-phenylquinazolin-4-yl)-9H-fluoren-1-yl]carbazole is sourced from PubChem (CID 146337871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).