4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine

C40H29N3O — CID 134223996

IUPAC4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine
SMILESc1ccc(COc2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C40H29N3O/c1-4-13-29(14-5-1)28-44-39-22-11-10-19-34(39)36-21-12-20-35(41-36)32-23-25-33(26-24-32)40-42-37(30-15-6-2-7-16-30)27-38(43-40)31-17-8-3-9-18-31/h1-27H,28H2
InChIKeyOCODISFZIOSSND-UHFFFAOYSA-N
MW567.69 g/mol
LogP9.79
Rot. Bonds8

About 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine

4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine (PubChem CID 134223996) has the molecular formula C40H29N3O and a molecular weight of 567.69 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine
PubChem CID134223996
Molecular FormulaC40H29N3O
Molecular Weight567.69 g/mol
Exact Mass567.23
IUPAC Name4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine
SMILESc1ccc(COc2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C40H29N3O/c1-4-13-29(14-5-1)28-44-39-22-11-10-19-34(39)36-21-12-20-35(41-36)32-23-25-33(26-24-32)40-42-37(30-15-6-2-7-16-30)27-38(43-40)31-17-8-3-9-18-31/h1-27H,28H2
InChIKeyOCODISFZIOSSND-UHFFFAOYSA-N
XLogP9.79
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine (CID 134223996) is 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine is c1ccc(COc2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine?
The InChIKey is OCODISFZIOSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3O/c1-4-13-29(14-5-1)28-44-39-22-11-10-19-34(39)36-21-12-20-35(41-36)32-23-25-33(26-24-32)40-42-37(30-15-6-2-7-16-30)27-38(43-40)31-17-8-3-9-18-31/h1-27H,28H2.
What are the key properties of 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine?
4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine has a molecular weight of 567.69 g/mol, XLogP of 9.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-[6-(2-phenylmethoxyphenyl)-2-pyridinyl]phenyl]pyrimidine is sourced from PubChem (CID 134223996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).