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

C42H25N3O — CID 142570823

IUPAC4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc6c5oc5ccccc56)c43)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3O/c1-2-12-26(13-3-1)39-34-17-6-8-22-36(34)43-42(44-39)45-37-25-28-15-5-4-14-27(28)24-35(37)31-19-10-18-30(40(31)45)33-21-11-20-32-29-16-7-9-23-38(29)46-41(32)33/h1-25H
InChIKeyZWXYKRPDDJWSNA-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

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

4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 142570823) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID142570823
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc6c5oc5ccccc56)c43)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3O/c1-2-12-26(13-3-1)39-34-17-6-8-22-36(34)43-42(44-39)45-37-25-28-15-5-4-14-27(28)24-35(37)31-19-10-18-30(40(31)45)33-21-11-20-32-29-16-7-9-23-38(29)46-41(32)33/h1-25H
InChIKeyZWXYKRPDDJWSNA-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142571530
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
4-(3-dibenzofuran-1-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568029
4-dibenzofuran-4-yl-5-(3-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 142569867
5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361732
2-(4-dibenzofuran-4-ylbenzo[b]carbazol-5-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 142570325
5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252440
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (CID 142570823) is 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc6c5oc5ccccc56)c43)nc3ccccc23)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is ZWXYKRPDDJWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-2-12-26(13-3-1)39-34-17-6-8-22-36(34)43-42(44-39)45-37-25-28-15-5-4-14-27(28)24-35(37)31-19-10-18-30(40(31)45)33-21-11-20-32-29-16-7-9-23-38(29)46-41(32)33/h1-25H.
What are the key properties of 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 587.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 142570823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).