5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole

C48H29N3O — CID 139361732

IUPAC5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4ccccc4)c3cc2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29N3O/c1-3-14-30(15-4-1)38-29-42-41(28-39(38)37-23-13-22-36-35-21-10-12-25-45(35)52-47(36)37)46(31-16-5-2-6-17-31)50-48(49-42)51-43-24-11-9-20-34(43)40-26-32-18-7-8-19-33(32)27-44(40)51/h1-29H
InChIKeyHELXYCHUICSYEI-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole

5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 139361732) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID139361732
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4ccccc4)c3cc2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29N3O/c1-3-14-30(15-4-1)38-29-42-41(28-39(38)37-23-13-22-36-35-21-10-12-25-45(35)52-47(36)37)46(31-16-5-2-6-17-31)50-48(49-42)51-43-24-11-9-20-34(43)40-26-32-18-7-8-19-33(32)27-44(40)51/h1-29H
InChIKeyHELXYCHUICSYEI-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

5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
CID 161482965
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361842
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
5-(4,7-dinaphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 161085780
5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
CID 157187423
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374848
5-(6-dibenzofuran-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-dibenzofuran-4-yl-3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(6-dibenzothiophen-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole
CID 161274836
5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252440

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole (CID 139361732) is 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2cc3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4ccccc4)c3cc2-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is HELXYCHUICSYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-3-14-30(15-4-1)38-29-42-41(28-39(38)37-23-13-22-36-35-21-10-12-25-45(35)52-47(36)37)46(31-16-5-2-6-17-31)50-48(49-42)51-43-24-11-9-20-34(43)40-26-32-18-7-8-19-33(32)27-44(40)51/h1-29H.
What are the key properties of 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]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 5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 139361732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).