4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole

C52H31N3O — CID 142570275

IUPAC4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2cccc4c2oc2ccccc24)c1n3-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1
InChIInChI=1S/C52H31N3O/c1-2-14-36-31-47-45(30-35(36)13-1)41-21-10-20-40(43-23-11-22-42-39-17-6-8-25-48(39)56-51(42)43)50(41)55(47)52-53-46-24-7-5-18-44(46)49(54-52)34-28-26-33(27-29-34)38-19-9-15-32-12-3-4-16-37(32)38/h1-31H
InChIKeyLHCFFINQWIIHSH-UHFFFAOYSA-N
MW713.84 g/mol
LogP13.93
Rot. Bonds4

About 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole

4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 142570275) has the molecular formula C52H31N3O and a molecular weight of 713.84 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID142570275
Molecular FormulaC52H31N3O
Molecular Weight713.84 g/mol
Exact Mass713.25
IUPAC Name4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2cccc4c2oc2ccccc24)c1n3-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1
InChIInChI=1S/C52H31N3O/c1-2-14-36-31-47-45(30-35(36)13-1)41-21-10-20-40(43-23-11-22-42-39-17-6-8-25-48(39)56-51(42)43)50(41)55(47)52-53-46-24-7-5-18-44(46)49(54-52)34-28-26-33(27-29-34)38-19-9-15-32-12-3-4-16-37(32)38/h1-31H
InChIKeyLHCFFINQWIIHSH-UHFFFAOYSA-N
XLogP13.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
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
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
2-(4-dibenzofuran-4-ylbenzo[b]carbazol-5-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 142570325
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole (CID 142570275) is 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1cccc(-c2cccc4c2oc2ccccc24)c1n3-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1.
What is the InChIKey of 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is LHCFFINQWIIHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O/c1-2-14-36-31-47-45(30-35(36)13-1)41-21-10-20-40(43-23-11-22-42-39-17-6-8-25-48(39)56-51(42)43)50(41)55(47)52-53-46-24-7-5-18-44(46)49(54-52)34-28-26-33(27-29-34)38-19-9-15-32-12-3-4-16-37(32)38/h1-31H.
What are the key properties of 4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 713.84 g/mol, XLogP of 13.93, 4 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-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 142570275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).