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

C40H40N6O2 — CID 135250638

IUPAC4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C40H40N6O2/c1-37(2)39(5,6)47-35(45-37)30-18-28(21-41-23-30)33-20-32(27-16-14-26(15-17-27)25-12-10-9-11-13-25)43-34(44-33)29-19-31(24-42-22-29)36-46-38(3,4)40(7,8)48-36/h9-24H,1-8H3
InChIKeyYIUQSVBTJKKNFR-UHFFFAOYSA-N
MW636.80 g/mol
LogP8.60
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]pyrimidin-2-yl]-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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole (PubChem CID 135250638) has the molecular formula C40H40N6O2 and a molecular weight of 636.80 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]pyrimidin-2-yl]-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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole
PubChem CID135250638
Molecular FormulaC40H40N6O2
Molecular Weight636.80 g/mol
Exact Mass636.32
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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C40H40N6O2/c1-37(2)39(5,6)47-35(45-37)30-18-28(21-41-23-30)33-20-32(27-16-14-26(15-17-27)25-12-10-9-11-13-25)43-34(44-33)29-19-31(24-42-22-29)36-46-38(3,4)40(7,8)48-36/h9-24H,1-8H3
InChIKeyYIUQSVBTJKKNFR-UHFFFAOYSA-N
XLogP8.60
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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]pyrimidin-2-yl]-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]pyrimidin-2-yl]-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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole (CID 135250638) 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]pyrimidin-2-yl]-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]pyrimidin-2-yl]-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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole is CC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole?
The InChIKey is YIUQSVBTJKKNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N6O2/c1-37(2)39(5,6)47-35(45-37)30-18-28(21-41-23-30)33-20-32(27-16-14-26(15-17-27)25-12-10-9-11-13-25)43-34(44-33)29-19-31(24-42-22-29)36-46-38(3,4)40(7,8)48-36/h9-24H,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]pyrimidin-2-yl]-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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole has a molecular weight of 636.80 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 135250638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).