2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline

C41H25N3O — CID 156574256

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccccc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C41H25N3O/c1-3-10-27(11-4-1)35-25-23-29-22-24-34-37(28-12-5-2-6-13-28)43-41(44-39(34)38(29)42-35)30-20-18-26(19-21-30)31-15-9-16-33-32-14-7-8-17-36(32)45-40(31)33/h1-25H
InChIKeyCHTAFYMLOSOHSN-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline

2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline (PubChem CID 156574256) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
PubChem CID156574256
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccccc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C41H25N3O/c1-3-10-27(11-4-1)35-25-23-29-22-24-34-37(28-12-5-2-6-13-28)43-41(44-39(34)38(29)42-35)30-20-18-26(19-21-30)31-15-9-16-33-32-14-7-8-17-36(32)45-40(31)33/h1-25H
InChIKeyCHTAFYMLOSOHSN-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-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline
CID 176785298
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559717
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline
CID 154955773
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978316
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574283
9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline
CID 123240155
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline (CID 156574256) is 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline is c1ccc(-c2ccc3ccc4c(-c5ccccc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline?
The InChIKey is CHTAFYMLOSOHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-10-27(11-4-1)35-25-23-29-22-24-34-37(28-12-5-2-6-13-28)43-41(44-39(34)38(29)42-35)30-20-18-26(19-21-30)31-15-9-16-33-32-14-7-8-17-36(32)45-40(31)33/h1-25H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline?
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[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 2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 156574256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).