4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole

C54H33N3O — CID 142568017

IUPAC4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C54H33N3O/c1-2-13-34(14-3-1)52-45-22-6-8-25-48(45)55-54(56-52)57-49-33-39-16-5-4-15-38(39)31-46(49)44-24-12-23-42(53(44)57)41-20-11-19-37(30-41)35-17-10-18-36(29-35)40-27-28-51-47(32-40)43-21-7-9-26-50(43)58-51/h1-33H
InChIKeyDBPWSRUTWQRQNZ-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.45
Rot. Bonds5

About 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole

4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 142568017) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID142568017
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C54H33N3O/c1-2-13-34(14-3-1)52-45-22-6-8-25-48(45)55-54(56-52)57-49-33-39-16-5-4-15-38(39)31-46(49)44-24-12-23-42(53(44)57)41-20-11-19-37(30-41)35-17-10-18-36(29-35)40-27-28-51-47(32-40)43-21-7-9-26-50(43)58-51/h1-33H
InChIKeyDBPWSRUTWQRQNZ-UHFFFAOYSA-N
XLogP14.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-1-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568029
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235598
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
2-(4-dibenzofuran-2-ylbenzo[b]carbazol-5-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142571288
6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568797
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (CID 142568017) is 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is DBPWSRUTWQRQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-2-13-34(14-3-1)52-45-22-6-8-25-48(45)55-54(56-52)57-49-33-39-16-5-4-15-38(39)31-46(49)44-24-12-23-42(53(44)57)41-20-11-19-37(30-41)35-17-10-18-36(29-35)40-27-28-51-47(32-40)43-21-7-9-26-50(43)58-51/h1-33H.
What are the key properties of 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 142568017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).