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

C48H34N4O2 — CID 163534559

IUPAC5-[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
SMILESCc1nc(C)c(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cccc(-c6oc(C)nc6C)n5)c5ccccc45)c4ccccc34)n2)o1
InChIInChI=1S/C48H34N4O2/c1-27-47(53-29(3)49-27)41-25-13-23-39(51-41)43-31-15-5-9-19-35(31)45(36-20-10-6-16-32(36)43)46-37-21-11-7-17-33(37)44(34-18-8-12-22-38(34)46)40-24-14-26-42(52-40)48-28(2)50-30(4)54-48/h5-26H,1-4H3
InChIKeyDVVQQGAIJGHKFB-UHFFFAOYSA-N
MW698.83 g/mol
LogP12.63
Rot. Bonds5

About 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

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 (PubChem CID 163534559) has the molecular formula C48H34N4O2 and a molecular weight of 698.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID163534559
Molecular FormulaC48H34N4O2
Molecular Weight698.83 g/mol
Exact Mass698.27
IUPAC Name5-[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
SMILESCc1nc(C)c(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cccc(-c6oc(C)nc6C)n5)c5ccccc45)c4ccccc34)n2)o1
InChIInChI=1S/C48H34N4O2/c1-27-47(53-29(3)49-27)41-25-13-23-39(51-41)43-31-15-5-9-19-35(31)45(36-20-10-6-16-32(36)43)46-37-21-11-7-17-33(37)44(34-18-8-12-22-38(34)46)40-24-14-26-42(52-40)48-28(2)50-30(4)54-48/h5-26H,1-4H3
InChIKeyDVVQQGAIJGHKFB-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-[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole
CID 82125407
5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
CID 163700977
2-anthracen-9-yl-6-methylpyridine
CID 144659337
2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 58894807
2-methyl-5-(6-methyl-2-pyridinyl)-4-quinolin-8-yl-1,3-oxazole
CID 68886380
5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole
CID 628141
2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
CID 11217636
2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88914352
4-[6-[10-[10-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 126542258
9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine
CID 59726879
2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
CID 57321541

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)c(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cccc(-c6oc(C)nc6C)n5)c5ccccc45)c4ccccc34)n2)o1.
What is the InChIKey of 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?
The InChIKey is DVVQQGAIJGHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O2/c1-27-47(53-29(3)49-27)41-25-13-23-39(51-41)43-31-15-5-9-19-35(31)45(36-20-10-6-16-32(36)43)46-37-21-11-7-17-33(37)44(34-18-8-12-22-38(34)46)40-24-14-26-42(52-40)48-28(2)50-30(4)54-48/h5-26H,1-4H3.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 163534559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).