2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

C44H32N2O — CID 135249725

IUPAC2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)O1
InChIInChI=1S/C44H32N2O/c1-44(2)27-46-43(47-44)35-20-22-40(45-26-35)32-19-21-38-39(25-32)42(34-18-16-29-10-4-6-12-31(29)24-34)37-14-8-7-13-36(37)41(38)33-17-15-28-9-3-5-11-30(28)23-33/h3-26H,27H2,1-2H3
InChIKeyIBLZNDNUWFOTEG-UHFFFAOYSA-N
MW604.75 g/mol
LogP11.25
Rot. Bonds4

About 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135249725) has the molecular formula C44H32N2O and a molecular weight of 604.75 g/mol. Its IUPAC name is 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135249725
Molecular FormulaC44H32N2O
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)O1
InChIInChI=1S/C44H32N2O/c1-44(2)27-46-43(47-44)35-20-22-40(45-26-35)32-19-21-38-39(25-32)42(34-18-16-29-10-4-6-12-31(29)24-34)37-14-8-7-13-36(37)41(38)33-17-15-28-9-3-5-11-30(28)23-33/h3-26H,27H2,1-2H3
InChIKeyIBLZNDNUWFOTEG-UHFFFAOYSA-N
XLogP11.25
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole with MolForge

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Related Compounds

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
5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole
CID 135249621
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250630
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691
5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline
CID 130354469
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
2-methyl-5-[4-[10-[4-(6-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642449

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135249725) is 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)O1.
What is the InChIKey of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is IBLZNDNUWFOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O/c1-44(2)27-46-43(47-44)35-20-22-40(45-26-35)32-19-21-38-39(25-32)42(34-18-16-29-10-4-6-12-31(29)24-34)37-14-8-7-13-36(37)41(38)33-17-15-28-9-3-5-11-30(28)23-33/h3-26H,27H2,1-2H3.
What are the key properties of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 604.75 g/mol, XLogP of 11.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135249725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).