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

C38H23N3O — CID 146335722

IUPAC9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3O/c1-2-11-24(12-3-1)36-30-15-4-7-17-31(30)39-38(40-36)25-21-22-28-29-16-10-20-34(37(29)42-35(28)23-25)41-32-18-8-5-13-26(32)27-14-6-9-19-33(27)41/h1-23H
InChIKeyFBKSDPOHDCEOBH-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.96
Rot. Bonds3

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

9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 146335722) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID146335722
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3O/c1-2-11-24(12-3-1)36-30-15-4-7-17-31(30)39-38(40-36)25-21-22-28-29-16-10-20-34(37(29)42-35(28)23-25)41-32-18-8-5-13-26(32)27-14-6-9-19-33(27)41/h1-23H
InChIKeyFBKSDPOHDCEOBH-UHFFFAOYSA-N
XLogP9.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole (CID 146335722) is 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)nc3ccccc23)cc1.
What is the InChIKey of 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is FBKSDPOHDCEOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-2-11-24(12-3-1)36-30-15-4-7-17-31(30)39-38(40-36)25-21-22-28-29-16-10-20-34(37(29)42-35(28)23-25)41-32-18-8-5-13-26(32)27-14-6-9-19-33(27)41/h1-23H.
What are the key properties of 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 537.62 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146335722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).