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

C51H37N3O — CID 142569467

IUPAC4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3O.C3H8/c1-2-13-30(14-3-1)45-40-20-6-8-25-42(40)49-48(50-45)51-43-29-32-16-5-4-15-31(32)28-41(43)38-23-11-21-35(46(38)51)33-17-10-18-34(27-33)36-22-12-24-39-37-19-7-9-26-44(37)52-47(36)39;1-3-2/h1-29H;3H2,1-2H3
InChIKeyYHVUOGMTVXFDFL-UHFFFAOYSA-N
MW707.88 g/mol
LogP14.20
Rot. Bonds4

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

4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane (PubChem CID 142569467) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
PubChem CID142569467
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3O.C3H8/c1-2-13-30(14-3-1)45-40-20-6-8-25-42(40)49-48(50-45)51-43-29-32-16-5-4-15-31(32)28-41(43)38-23-11-21-35(46(38)51)33-17-10-18-34(27-33)36-22-12-24-39-37-19-7-9-26-44(37)52-47(36)39;1-3-2/h1-29H;3H2,1-2H3
InChIKeyYHVUOGMTVXFDFL-UHFFFAOYSA-N
XLogP14.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 514.20
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-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
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
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142571530
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321
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
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
CID 142570201

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane (CID 142569467) is 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane is CCC.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane?
The InChIKey is YHVUOGMTVXFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O.C3H8/c1-2-13-30(14-3-1)45-40-20-6-8-25-42(40)49-48(50-45)51-43-29-32-16-5-4-15-31(32)28-41(43)38-23-11-21-35(46(38)51)33-17-10-18-34(27-33)36-22-12-24-39-37-19-7-9-26-44(37)52-47(36)39;1-3-2/h1-29H;3H2,1-2H3.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane?
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane has a molecular weight of 707.88 g/mol, XLogP of 14.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane is sourced from PubChem (CID 142569467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).