10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

C41H25N3O — CID 149017319

IUPAC10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6cccc7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5c4c3o2)cc1
InChIInChI=1S/C41H25N3O/c1-4-11-28(12-5-1)37-38(29-13-6-2-7-14-29)44-39-32(17-10-18-34(39)42-37)31-22-20-26-19-21-27-23-24-35-40(36(27)33(26)25-31)45-41(43-35)30-15-8-3-9-16-30/h1-25H
InChIKeyQCUJMHDRZOFSLT-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 149017319) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID149017319
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6cccc7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5c4c3o2)cc1
InChIInChI=1S/C41H25N3O/c1-4-11-28(12-5-1)37-38(29-13-6-2-7-14-29)44-39-32(17-10-18-34(39)42-37)31-22-20-26-19-21-27-23-24-35-40(36(27)33(26)25-31)45-41(43-35)30-15-8-3-9-16-30/h1-25H
InChIKeyQCUJMHDRZOFSLT-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-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
2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 146330210
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
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
5-chrysen-3-yl-2,3-diphenylquinoxaline;3-chrysen-3-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-chrysen-3-yl-3-(3-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 157359953
2-phenyl-10-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840444
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
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (CID 149017319) is 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5c4c3o2)cc1.
What is the InChIKey of 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is QCUJMHDRZOFSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-4-11-28(12-5-1)37-38(29-13-6-2-7-14-29)44-39-32(17-10-18-34(39)42-37)31-22-20-26-19-21-27-23-24-35-40(36(27)33(26)25-31)45-41(43-35)30-15-8-3-9-16-30/h1-25H.
What are the key properties of 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
10-(2,3-diphenylquinoxalin-5-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 10-(2,3-diphenylquinoxalin-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 149017319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).