5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole

C48H34N4O2 — CID 146856580

IUPAC5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6oc(C)nc6C)nc5)c5ccccc45)c4ccccc34)nc2)o1
InChIInChI=1S/C48H34N4O2/c1-27-47(53-29(3)51-27)32-22-23-41(49-26-32)44-35-15-7-11-19-39(35)46(40-20-12-8-16-36(40)44)45-37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)31-21-24-42(50-25-31)48-28(2)52-30(4)54-48/h5-26H,1-4H3
InChIKeySJSGOFFNKVOXBR-UHFFFAOYSA-N
MW698.83 g/mol
LogP12.63
Rot. Bonds5

About 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole

5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole (PubChem CID 146856580) has the molecular formula C48H34N4O2 and a molecular weight of 698.83 g/mol. Its IUPAC name is 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
PubChem CID146856580
Molecular FormulaC48H34N4O2
Molecular Weight698.83 g/mol
Exact Mass698.27
IUPAC Name5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6oc(C)nc6C)nc5)c5ccccc45)c4ccccc34)nc2)o1
InChIInChI=1S/C48H34N4O2/c1-27-47(53-29(3)51-27)32-22-23-41(49-26-32)44-35-15-7-11-19-39(35)46(40-20-12-8-16-36(40)44)45-37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)31-21-24-42(50-25-31)48-28(2)52-30(4)54-48/h5-26H,1-4H3
InChIKeySJSGOFFNKVOXBR-UHFFFAOYSA-N
XLogP12.63
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.83
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole with MolForge

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Related Compounds

5-[6-[10-[10-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
CID 163534559
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691
2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine
CID 58224566
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142353452
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135249908
5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 149259214
5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole
CID 163759965

Frequently Asked Questions

What is the IUPAC name of 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole (CID 146856580) is 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6oc(C)nc6C)nc5)c5ccccc45)c4ccccc34)nc2)o1.
What is the InChIKey of 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is SJSGOFFNKVOXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O2/c1-27-47(53-29(3)51-27)32-22-23-41(49-26-32)44-35-15-7-11-19-39(35)46(40-20-12-8-16-36(40)44)45-37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)31-21-24-42(50-25-31)48-28(2)52-30(4)54-48/h5-26H,1-4H3.
What are the key properties of 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 698.83 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 146856580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).