2,4-diphenylbenzo[h]quinazoline

C24H16N2 — CID 3466745

IUPAC2,4-diphenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C24H16N2/c1-3-10-18(11-4-1)22-21-16-15-17-9-7-8-14-20(17)23(21)26-24(25-22)19-12-5-2-6-13-19/h1-16H
InChIKeyGEZASDFBKHUKNE-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.12
Rot. Bonds2

About 2,4-diphenylbenzo[h]quinazoline

2,4-diphenylbenzo[h]quinazoline (PubChem CID 3466745) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2,4-diphenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2,4-diphenylbenzo[h]quinazoline
PubChem CID3466745
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name2,4-diphenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C24H16N2/c1-3-10-18(11-4-1)22-21-16-15-17-9-7-8-14-20(17)23(21)26-24(25-22)19-12-5-2-6-13-19/h1-16H
InChIKeyGEZASDFBKHUKNE-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylbenzo[h]quinazoline?
The IUPAC name of 2,4-diphenylbenzo[h]quinazoline (CID 3466745) is 2,4-diphenylbenzo[h]quinazoline.
What is the SMILES notation for 2,4-diphenylbenzo[h]quinazoline?
The canonical SMILES for 2,4-diphenylbenzo[h]quinazoline is c1ccc(-c2nc(-c3ccccc3)c3ccc4ccccc4c3n2)cc1.
What is the InChIKey of 2,4-diphenylbenzo[h]quinazoline?
The InChIKey is GEZASDFBKHUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-3-10-18(11-4-1)22-21-16-15-17-9-7-8-14-20(17)23(21)26-24(25-22)19-12-5-2-6-13-19/h1-16H.
What are the key properties of 2,4-diphenylbenzo[h]quinazoline?
2,4-diphenylbenzo[h]quinazoline has a molecular weight of 332.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylbenzo[h]quinazoline is sourced from PubChem (CID 3466745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).