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

C42H42N4O2 — CID 135250622

IUPAC4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C42H42N4O2/c1-39(2)41(5,6)47-37(45-39)32-18-12-16-30(24-32)35-26-34(29-22-20-28(21-23-29)27-14-10-9-11-15-27)43-36(44-35)31-17-13-19-33(25-31)38-46-40(3,4)42(7,8)48-38/h9-26H,1-8H3
InChIKeyVAUVBOPKJKYUQQ-UHFFFAOYSA-N
MW634.82 g/mol
LogP9.81
Rot. Bonds6

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

4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole (PubChem CID 135250622) has the molecular formula C42H42N4O2 and a molecular weight of 634.82 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole
PubChem CID135250622
Molecular FormulaC42H42N4O2
Molecular Weight634.82 g/mol
Exact Mass634.33
IUPAC Name4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C42H42N4O2/c1-39(2)41(5,6)47-37(45-39)32-18-12-16-30(24-32)35-26-34(29-22-20-28(21-23-29)27-14-10-9-11-15-27)43-36(44-35)31-17-13-19-33(25-31)38-46-40(3,4)42(7,8)48-38/h9-26H,1-8H3
InChIKeyVAUVBOPKJKYUQQ-UHFFFAOYSA-N
XLogP9.81
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole (CID 135250622) is 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole is CC1(C)N=C(c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(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-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole?
The InChIKey is VAUVBOPKJKYUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N4O2/c1-39(2)41(5,6)47-37(45-39)32-18-12-16-30(24-32)35-26-34(29-22-20-28(21-23-29)27-14-10-9-11-15-27)43-36(44-35)31-17-13-19-33(25-31)38-46-40(3,4)42(7,8)48-38/h9-26H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole has a molecular weight of 634.82 g/mol, XLogP of 9.81, 6 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-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]pyrimidin-2-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 135250622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).