2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline

C26H20N2 — CID 142415982

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)c3ccccc3n2)=CCC1
InChIInChI=1S/C26H20N2/c1-3-10-19(11-4-1)21-14-9-15-22(18-21)25-23-16-7-8-17-24(23)27-26(28-25)20-12-5-2-6-13-20/h1,3-5,7-18H,2,6H2
InChIKeyZLCRGSVOCCBJSB-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.70
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline

2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline (PubChem CID 142415982) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline
PubChem CID142415982
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)c3ccccc3n2)=CCC1
InChIInChI=1S/C26H20N2/c1-3-10-19(11-4-1)21-14-9-15-22(18-21)25-23-16-7-8-17-24(23)27-26(28-25)20-12-5-2-6-13-20/h1,3-5,7-18H,2,6H2
InChIKeyZLCRGSVOCCBJSB-UHFFFAOYSA-N
XLogP6.70
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 ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclohexa-1,5-dien-1-ylquinazolin-4-yl)-9-phenyl-6-(2-phenylquinazolin-4-yl)carbazole
CID 143224463
2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline
CID 134432211
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-[3-[4-[2-[3-[2-(2-cyclohexa-1,5-dien-1-ylquinazolin-4-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174308909
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
2-cyclohexa-1,5-dien-1-yl-4-[3-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 167032919
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline (CID 142415982) is 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline is C1=CC(c2nc(-c3cccc(-c4ccccc4)c3)c3ccccc3n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline?
The InChIKey is ZLCRGSVOCCBJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-3-10-19(11-4-1)21-14-9-15-22(18-21)25-23-16-7-8-17-24(23)27-26(28-25)20-12-5-2-6-13-20/h1,3-5,7-18H,2,6H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline?
2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline has a molecular weight of 360.46 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline is sourced from PubChem (CID 142415982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).