5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole

C35H27NO — CID 135249621

IUPAC5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)O1
InChIInChI=1S/C35H27NO/c1-35(2)22-36-34(37-35)27-13-9-12-25(21-27)32-28-14-5-7-16-30(28)33(31-17-8-6-15-29(31)32)26-19-18-23-10-3-4-11-24(23)20-26/h3-21H,22H2,1-2H3
InChIKeyGIMQVHLJMQKFHD-UHFFFAOYSA-N
MW477.61 g/mol
LogP9.04
Rot. Bonds3

About 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole

5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole (PubChem CID 135249621) has the molecular formula C35H27NO and a molecular weight of 477.61 g/mol. Its IUPAC name is 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole
PubChem CID135249621
Molecular FormulaC35H27NO
Molecular Weight477.61 g/mol
Exact Mass477.21
IUPAC Name5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)O1
InChIInChI=1S/C35H27NO/c1-35(2)22-36-34(37-35)27-13-9-12-25(21-27)32-28-14-5-7-16-30(28)33(31-17-8-6-15-29(31)32)26-19-18-23-10-3-4-11-24(23)20-26/h3-21H,22H2,1-2H3
InChIKeyGIMQVHLJMQKFHD-UHFFFAOYSA-N
XLogP9.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135249725
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
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
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole?
The IUPAC name of 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole (CID 135249621) is 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole.
What is the SMILES notation for 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole?
The canonical SMILES for 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole is CC1(C)CN=C(c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)O1.
What is the InChIKey of 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole?
The InChIKey is GIMQVHLJMQKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO/c1-35(2)22-36-34(37-35)27-13-9-12-25(21-27)32-28-14-5-7-16-30(28)33(31-17-8-6-15-29(31)32)26-19-18-23-10-3-4-11-24(23)20-26/h3-21H,22H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole?
5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole has a molecular weight of 477.61 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole is sourced from PubChem (CID 135249621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).