10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole

C48H29N3O — CID 142568833

IUPAC10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-n3c4c(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3O/c1-2-13-31(14-3-1)45-40-19-6-8-22-42(40)49-48(50-45)51-46-35-17-5-4-12-30(35)24-26-39(46)38-21-11-20-36(47(38)51)34-16-10-15-32(28-34)33-25-27-44-41(29-33)37-18-7-9-23-43(37)52-44/h1-29H
InChIKeyJVQYGCJONATQBT-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole

10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole (PubChem CID 142568833) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole.

Molecular Properties

Compound Name10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
PubChem CID142568833
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-n3c4c(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3O/c1-2-13-31(14-3-1)45-40-19-6-8-22-42(40)49-48(50-45)51-46-35-17-5-4-12-30(35)24-26-39(46)38-21-11-20-36(47(38)51)34-16-10-15-32(28-34)33-25-27-44-41(29-33)37-18-7-9-23-43(37)52-44/h1-29H
InChIKeyJVQYGCJONATQBT-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
9-dibenzofuran-2-yl-19-(4-phenylquinazolin-2-yl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 140913947
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[a]carbazole
CID 142569684
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568797
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
12-(4-dibenzofuran-2-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149691
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224

Frequently Asked Questions

What is the IUPAC name of 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The IUPAC name of 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole (CID 142568833) is 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole.
What is the SMILES notation for 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The canonical SMILES for 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole is c1ccc(-c2nc(-n3c4c(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The InChIKey is JVQYGCJONATQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-2-13-31(14-3-1)45-40-19-6-8-22-42(40)49-48(50-45)51-46-35-17-5-4-12-30(35)24-26-39(46)38-21-11-20-36(47(38)51)34-16-10-15-32(28-34)33-25-27-44-41(29-33)37-18-7-9-23-43(37)52-44/h1-29H.
What are the key properties of 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole has a molecular weight of 663.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole is sourced from PubChem (CID 142568833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).