4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole

C41H41N5O2 — CID 135250634

IUPAC4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C41H41N5O2/c1-38(2)40(5,6)47-36(45-38)32-18-30(22-42-24-32)34-20-29(28-16-14-27(15-17-28)26-12-10-9-11-13-26)21-35(44-34)31-19-33(25-43-23-31)37-46-39(3,4)41(7,8)48-37/h9-25H,1-8H3
InChIKeyNATDSKHXUMJUEB-UHFFFAOYSA-N
MW635.81 g/mol
LogP9.21
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole

4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole (PubChem CID 135250634) has the molecular formula C41H41N5O2 and a molecular weight of 635.81 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole
PubChem CID135250634
Molecular FormulaC41H41N5O2
Molecular Weight635.81 g/mol
Exact Mass635.33
IUPAC Name4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C41H41N5O2/c1-38(2)40(5,6)47-36(45-38)32-18-30(22-42-24-32)34-20-29(28-16-14-27(15-17-28)26-12-10-9-11-13-26)21-35(44-34)31-19-33(25-43-23-31)37-46-39(3,4)41(7,8)48-37/h9-25H,1-8H3
InChIKeyNATDSKHXUMJUEB-UHFFFAOYSA-N
XLogP9.21
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-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-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole (CID 135250634) is 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole is CC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole?
The InChIKey is NATDSKHXUMJUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N5O2/c1-38(2)40(5,6)47-36(45-38)32-18-30(22-42-24-32)34-20-29(28-16-14-27(15-17-28)26-12-10-9-11-13-26)21-35(44-34)31-19-33(25-43-23-31)37-46-39(3,4)41(7,8)48-37/h9-25H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole has a molecular weight of 635.81 g/mol, XLogP of 9.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 135250634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).