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

C44H42N4O2 — CID 135249854

IUPAC4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)c4ccc(-c5ccccc5)cc34)nc2)OC1(C)C
InChIInChI=1S/C44H42N4O2/c1-41(2)43(5,6)49-39(47-41)30-20-22-35(45-26-30)38-32-17-13-12-16-31(32)37(33-21-18-28(24-34(33)38)27-14-10-9-11-15-27)29-19-23-36(46-25-29)40-48-42(3,4)44(7,8)50-40/h9-26H,1-8H3
InChIKeyZVLRCZXONDKSME-UHFFFAOYSA-N
MW658.85 g/mol
LogP10.45
Rot. Bonds5

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

4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole (PubChem CID 135249854) has the molecular formula C44H42N4O2 and a molecular weight of 658.85 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
PubChem CID135249854
Molecular FormulaC44H42N4O2
Molecular Weight658.85 g/mol
Exact Mass658.33
IUPAC Name4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)c4ccc(-c5ccccc5)cc34)nc2)OC1(C)C
InChIInChI=1S/C44H42N4O2/c1-41(2)43(5,6)49-39(47-41)30-20-22-35(45-26-30)38-32-17-13-12-16-31(32)37(33-21-18-28(24-34(33)38)27-14-10-9-11-15-27)29-19-23-36(46-25-29)40-48-42(3,4)44(7,8)50-40/h9-26H,1-8H3
InChIKeyZVLRCZXONDKSME-UHFFFAOYSA-N
XLogP10.45
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.85
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole (CID 135249854) is 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole is CC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)c4ccc(-c5ccccc5)cc34)nc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is ZVLRCZXONDKSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N4O2/c1-41(2)43(5,6)49-39(47-41)30-20-22-35(45-26-30)38-32-17-13-12-16-31(32)37(33-21-18-28(24-34(33)38)27-14-10-9-11-15-27)29-19-23-36(46-25-29)40-48-42(3,4)44(7,8)50-40/h9-26H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 658.85 g/mol, XLogP of 10.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 135249854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).