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

C40H34N4O2 — CID 135249590

IUPAC2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4cc(-c5ccccc5)ccc34)cn2)=N1
InChIInChI=1S/C40H34N4O2/c1-39(2)23-45-37(43-39)33-18-15-27(21-41-33)35-29-12-8-9-13-30(29)36(28-16-19-34(42-22-28)38-44-40(3,4)24-46-38)32-20-26(14-17-31(32)35)25-10-6-5-7-11-25/h5-22H,23-24H2,1-4H3
InChIKeyOJTPPFKEWKHDLL-UHFFFAOYSA-N
MW602.74 g/mol
LogP8.89
Rot. Bonds5

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

2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135249590) has the molecular formula C40H34N4O2 and a molecular weight of 602.74 g/mol. Its IUPAC name is 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135249590
Molecular FormulaC40H34N4O2
Molecular Weight602.74 g/mol
Exact Mass602.27
IUPAC Name2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4cc(-c5ccccc5)ccc34)cn2)=N1
InChIInChI=1S/C40H34N4O2/c1-39(2)23-45-37(43-39)33-18-15-27(21-41-33)35-29-12-8-9-13-30(29)36(28-16-19-34(42-22-28)38-44-40(3,4)24-46-38)32-20-26(14-17-31(32)35)25-10-6-5-7-11-25/h5-22H,23-24H2,1-4H3
InChIKeyOJTPPFKEWKHDLL-UHFFFAOYSA-N
XLogP8.89
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

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4-[[1-(Anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline
CID 4227474
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CID 132568791
(4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
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2-(4-((Benzyloxy)methyl)-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
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4-[(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline
CID 10886584
4-[(S)-[(2R,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline bromide
CID 11444840

Frequently Asked Questions

What is the IUPAC name of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135249590) is 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4cc(-c5ccccc5)ccc34)cn2)=N1.
What is the InChIKey of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OJTPPFKEWKHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O2/c1-39(2)23-45-37(43-39)33-18-15-27(21-41-33)35-29-12-8-9-13-30(29)36(28-16-19-34(42-22-28)38-44-40(3,4)24-46-38)32-20-26(14-17-31(32)35)25-10-6-5-7-11-25/h5-22H,23-24H2,1-4H3.
What are the key properties of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 602.74 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135249590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).