2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline

C26H20N2 — CID 166801171

IUPAC2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline
SMILESCCc1nc(-c2ccc3ccccc3c2)c2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C26H20N2/c1-2-24-27-25(21-16-15-18-9-6-7-12-20(18)17-21)23-14-8-13-22(26(23)28-24)19-10-4-3-5-11-19/h3-17H,2H2,1H3
InChIKeyPPIAGNRESAITBH-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.68
Rot. Bonds3

About 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline

2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline (PubChem CID 166801171) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline.

Molecular Properties

Compound Name2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline
PubChem CID166801171
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline
SMILESCCc1nc(-c2ccc3ccccc3c2)c2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C26H20N2/c1-2-24-27-25(21-16-15-18-9-6-7-12-20(18)17-21)23-14-8-13-22(26(23)28-24)19-10-4-3-5-11-19/h3-17H,2H2,1H3
InChIKeyPPIAGNRESAITBH-UHFFFAOYSA-N
XLogP6.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 170188925
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
2-(3,5-diethylphenyl)-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 174141308
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
methane;N-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157113671
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline?
The IUPAC name of 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline (CID 166801171) is 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline.
What is the SMILES notation for 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline?
The canonical SMILES for 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline is CCc1nc(-c2ccc3ccccc3c2)c2cccc(-c3ccccc3)c2n1.
What is the InChIKey of 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline?
The InChIKey is PPIAGNRESAITBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-2-24-27-25(21-16-15-18-9-6-7-12-20(18)17-21)23-14-8-13-22(26(23)28-24)19-10-4-3-5-11-19/h3-17H,2H2,1H3.
What are the key properties of 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline?
2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline has a molecular weight of 360.46 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline is sourced from PubChem (CID 166801171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).