9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline

C41H25N3O — CID 123240155

IUPAC9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C41H25N3O/c1-4-12-26(13-5-1)33-25-35(29-20-23-37-34(24-29)30-18-10-11-19-36(30)45-37)42-39-31(33)21-22-32-38(27-14-6-2-7-15-27)43-41(44-40(32)39)28-16-8-3-9-17-28/h1-25H
InChIKeyQQBFEUOKANDBMI-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline

9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline (PubChem CID 123240155) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline
PubChem CID123240155
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C41H25N3O/c1-4-12-26(13-5-1)33-25-35(29-20-23-37-34(24-29)30-18-10-11-19-36(30)45-37)42-39-31(33)21-22-32-38(27-14-6-2-7-15-27)43-41(44-40(32)39)28-16-8-3-9-17-28/h1-25H
InChIKeyQQBFEUOKANDBMI-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline
CID 58049706
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978721
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146647718
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171585500
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline
CID 176785298

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline?
The IUPAC name of 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline (CID 123240155) is 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline is c1ccc(-c2nc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)nc4c3n2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline?
The InChIKey is QQBFEUOKANDBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-4-12-26(13-5-1)33-25-35(29-20-23-37-34(24-29)30-18-10-11-19-36(30)45-37)42-39-31(33)21-22-32-38(27-14-6-2-7-15-27)43-41(44-40(32)39)28-16-8-3-9-17-28/h1-25H.
What are the key properties of 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline?
9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 123240155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).