2-methyl-4,6-diphenylbenzo[h]quinazoline

C25H18N2 — CID 157187450

IUPAC2-methyl-4,6-diphenylbenzo[h]quinazoline
SMILESCc1nc(-c2ccccc2)c2cc(-c3ccccc3)c3ccccc3c2n1
InChIInChI=1S/C25H18N2/c1-17-26-24(19-12-6-3-7-13-19)23-16-22(18-10-4-2-5-11-18)20-14-8-9-15-21(20)25(23)27-17/h2-16H,1H3
InChIKeyODADFVSATLBZDV-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.43
Rot. Bonds2

About 2-methyl-4,6-diphenylbenzo[h]quinazoline

2-methyl-4,6-diphenylbenzo[h]quinazoline (PubChem CID 157187450) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-4,6-diphenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-methyl-4,6-diphenylbenzo[h]quinazoline
PubChem CID157187450
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name2-methyl-4,6-diphenylbenzo[h]quinazoline
SMILESCc1nc(-c2ccccc2)c2cc(-c3ccccc3)c3ccccc3c2n1
InChIInChI=1S/C25H18N2/c1-17-26-24(19-12-6-3-7-13-19)23-16-22(18-10-4-2-5-11-18)20-14-8-9-15-21(20)25(23)27-17/h2-16H,1H3
InChIKeyODADFVSATLBZDV-UHFFFAOYSA-N
XLogP6.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.43
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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Related Compounds

2-methyl-4,10-diphenylbenzo[g]quinazoline
CID 160887193
2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
CID 140928944
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604
ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
CID 142519146
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-diphenylbenzo[h]quinazoline?
The IUPAC name of 2-methyl-4,6-diphenylbenzo[h]quinazoline (CID 157187450) is 2-methyl-4,6-diphenylbenzo[h]quinazoline.
What is the SMILES notation for 2-methyl-4,6-diphenylbenzo[h]quinazoline?
The canonical SMILES for 2-methyl-4,6-diphenylbenzo[h]quinazoline is Cc1nc(-c2ccccc2)c2cc(-c3ccccc3)c3ccccc3c2n1.
What is the InChIKey of 2-methyl-4,6-diphenylbenzo[h]quinazoline?
The InChIKey is ODADFVSATLBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-17-26-24(19-12-6-3-7-13-19)23-16-22(18-10-4-2-5-11-18)20-14-8-9-15-21(20)25(23)27-17/h2-16H,1H3.
What are the key properties of 2-methyl-4,6-diphenylbenzo[h]quinazoline?
2-methyl-4,6-diphenylbenzo[h]quinazoline has a molecular weight of 346.43 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-diphenylbenzo[h]quinazoline is sourced from PubChem (CID 157187450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).