2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole

C50H31N3O — CID 146335649

IUPAC2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc7ccccc67)ccc45)c3c2)cc1
InChIInChI=1S/C50H31N3O/c1-4-13-32(14-5-1)35-23-26-38-39-27-24-36(33-15-6-2-7-16-33)30-46(39)53(45(38)29-35)44-22-12-20-41-40-28-25-37(31-47(40)54-49(41)44)48-42-19-10-11-21-43(42)51-50(52-48)34-17-8-3-9-18-34/h1-31H
InChIKeyFKAUJYVNUGVQCQ-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.29
Rot. Bonds5

About 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole

2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole (PubChem CID 146335649) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
PubChem CID146335649
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc7ccccc67)ccc45)c3c2)cc1
InChIInChI=1S/C50H31N3O/c1-4-13-32(14-5-1)35-23-26-38-39-27-24-36(33-15-6-2-7-16-33)30-46(39)53(45(38)29-35)44-22-12-20-41-40-28-25-37(31-47(40)54-49(41)44)48-42-19-10-11-21-43(42)51-50(52-48)34-17-8-3-9-18-34/h1-31H
InChIKeyFKAUJYVNUGVQCQ-UHFFFAOYSA-N
XLogP13.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole (CID 146335649) is 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc7ccccc67)ccc45)c3c2)cc1.
What is the InChIKey of 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is FKAUJYVNUGVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-4-13-32(14-5-1)35-23-26-38-39-27-24-36(33-15-6-2-7-16-33)30-46(39)53(45(38)29-35)44-22-12-20-41-40-28-25-37(31-47(40)54-49(41)44)48-42-19-10-11-21-43(42)51-50(52-48)34-17-8-3-9-18-34/h1-31H.
What are the key properties of 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 689.82 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146335649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).