2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole

C35H21N3O — CID 147559646

IUPAC2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)c3ccccc3n2)cc1
InChIInChI=1S/C35H21N3O/c1-3-9-23(10-4-1)34-36-29-14-8-7-13-28(29)32(38-34)26-17-19-27-25(21-26)16-15-22-18-20-30-33(31(22)27)39-35(37-30)24-11-5-2-6-12-24/h1-21H
InChIKeyFSJLWZDNMORCOI-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole (PubChem CID 147559646) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole
PubChem CID147559646
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)c3ccccc3n2)cc1
InChIInChI=1S/C35H21N3O/c1-3-9-23(10-4-1)34-36-29-14-8-7-13-28(29)32(38-34)26-17-19-27-25(21-26)16-15-22-18-20-30-33(31(22)27)39-35(37-30)24-11-5-2-6-12-24/h1-21H
InChIKeyFSJLWZDNMORCOI-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
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

9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 163586917
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 139312741
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
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
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
2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
CID 138633502
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
14-(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),5,8,11,14,16,18,20-decaene
CID 176631445
18-(5-chloronaphthalen-1-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 176631270
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-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840376

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole (CID 147559646) is 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole?
The InChIKey is FSJLWZDNMORCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-3-9-23(10-4-1)34-36-29-14-8-7-13-28(29)32(38-34)26-17-19-27-25(21-26)16-15-22-18-20-30-33(31(22)27)39-35(37-30)24-11-5-2-6-12-24/h1-21H.
What are the key properties of 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 499.57 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(2-phenylquinazolin-4-yl)naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 147559646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).