2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole

C31H19N3O — CID 138633502

IUPAC2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4c3o2)cc1
InChIInChI=1S/C31H19N3O/c1-3-9-21(10-4-1)28-24-13-7-8-14-26(24)32-30(34-28)23-16-15-20-17-18-27-29(25(20)19-23)35-31(33-27)22-11-5-2-6-12-22/h1-19H
InChIKeyXTRKPBSDZGYQQO-UHFFFAOYSA-N
MW449.51 g/mol
LogP7.93
Rot. Bonds3

About 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole

2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole (PubChem CID 138633502) has the molecular formula C31H19N3O and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
PubChem CID138633502
Molecular FormulaC31H19N3O
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4c3o2)cc1
InChIInChI=1S/C31H19N3O/c1-3-9-21(10-4-1)28-24-13-7-8-14-26(24)32-30(34-28)23-16-15-20-17-18-27-29(25(20)19-23)35-31(33-27)22-11-5-2-6-12-22/h1-19H
InChIKeyXTRKPBSDZGYQQO-UHFFFAOYSA-N
XLogP7.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 138633638
2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole
CID 147559646
8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[g][1,3]benzoxazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzoxazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[g][1,3]benzoxazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 160577763
9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 163586917
2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 147685695
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
CID 138633683
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
2-phenyl-10-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164747987
18-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086070
18-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086385
N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 155473991

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole (CID 138633502) is 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4c3o2)cc1.
What is the InChIKey of 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole?
The InChIKey is XTRKPBSDZGYQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O/c1-3-9-21(10-4-1)28-24-13-7-8-14-26(24)32-30(34-28)23-16-15-20-17-18-27-29(25(20)19-23)35-31(33-27)22-11-5-2-6-12-22/h1-19H.
What are the key properties of 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole?
2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole has a molecular weight of 449.51 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole is sourced from PubChem (CID 138633502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).