4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline

C25H16N2O — CID 162692391

IUPAC4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
SMILESCc1cc2c(-c3cccc4c3oc3ccccc34)ncnc2c2ccccc12
InChIInChI=1S/C25H16N2O/c1-15-13-21-23(18-9-3-2-7-16(15)18)26-14-27-24(21)20-11-6-10-19-17-8-4-5-12-22(17)28-25(19)20/h2-14H,1H3
InChIKeyRRXDIUKTNPZZBF-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.66
Rot. Bonds1

About 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline

4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline (PubChem CID 162692391) has the molecular formula C25H16N2O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
PubChem CID162692391
Molecular FormulaC25H16N2O
Molecular Weight360.42 g/mol
Exact Mass360.13
IUPAC Name4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
SMILESCc1cc2c(-c3cccc4c3oc3ccccc34)ncnc2c2ccccc12
InChIInChI=1S/C25H16N2O/c1-15-13-21-23(18-9-3-2-7-16(15)18)26-14-27-24(21)20-11-6-10-19-17-8-4-5-12-22(17)28-25(19)20/h2-14H,1H3
InChIKeyRRXDIUKTNPZZBF-UHFFFAOYSA-N
XLogP6.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
CID 162693118
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
CID 162693258
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
CID 159945205
4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155078226
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
2-dibenzofuran-4-ylpyridine
CID 59500175

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline?
The IUPAC name of 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline (CID 162692391) is 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline?
The canonical SMILES for 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline is Cc1cc2c(-c3cccc4c3oc3ccccc34)ncnc2c2ccccc12.
What is the InChIKey of 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline?
The InChIKey is RRXDIUKTNPZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O/c1-15-13-21-23(18-9-3-2-7-16(15)18)26-14-27-24(21)20-11-6-10-19-17-8-4-5-12-22(17)28-25(19)20/h2-14H,1H3.
What are the key properties of 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline?
4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline has a molecular weight of 360.42 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline is sourced from PubChem (CID 162692391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).