9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

C41H25N3O — CID 163586917

IUPAC9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5c(ccc6ccc7nc(-c8ccccc8)oc7c65)c4)ccc3n2)cc1
InChIInChI=1S/C41H25N3O/c1-4-10-27(11-5-1)38-34-25-31(20-22-35(34)42-40(44-38)28-12-6-2-7-13-28)30-18-21-33-32(24-30)17-16-26-19-23-36-39(37(26)33)45-41(43-36)29-14-8-3-9-15-29/h1-25H
InChIKeyUGEKUHIDAXPGLE-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 163586917) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID163586917
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5c(ccc6ccc7nc(-c8ccccc8)oc7c65)c4)ccc3n2)cc1
InChIInChI=1S/C41H25N3O/c1-4-10-27(11-5-1)38-34-25-31(20-22-35(34)42-40(44-38)28-12-6-2-7-13-28)30-18-21-33-32(24-30)17-16-26-19-23-36-39(37(26)33)45-41(43-36)29-14-8-3-9-15-29/h1-25H
InChIKeyUGEKUHIDAXPGLE-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole
CID 147559646
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
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 139312741
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-naphthalen-2-ylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631698
18-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631316
19-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631677
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164955263
2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
CID 138633502
2-phenyl-10-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840444
2-phenyl-10-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[3-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole
CID 161086065
18-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-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 177086163

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (CID 163586917) is 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5c(ccc6ccc7nc(-c8ccccc8)oc7c65)c4)ccc3n2)cc1.
What is the InChIKey of 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is UGEKUHIDAXPGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-4-10-27(11-5-1)38-34-25-31(20-22-35(34)42-40(44-38)28-12-6-2-7-13-28)30-18-21-33-32(24-30)17-16-26-19-23-36-39(37(26)33)45-41(43-36)29-14-8-3-9-15-29/h1-25H.
What are the key properties of 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 163586917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).