4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine

C51H35N3 — CID 167363817

IUPAC4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C51H35N3/c1-7-20-36(21-8-1)44-35-45(37-22-9-2-10-23-37)53-51(52-44)43-33-19-32-42(34-43)46-47(38-24-11-3-12-25-38)49(40-28-15-5-16-29-40)54-50(41-30-17-6-18-31-41)48(46)39-26-13-4-14-27-39/h1-35H
InChIKeyQDYJOEKHOXCELV-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.21
Rot. Bonds8

About 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine

4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (PubChem CID 167363817) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
PubChem CID167363817
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C51H35N3/c1-7-20-36(21-8-1)44-35-45(37-22-9-2-10-23-37)53-51(52-44)43-33-19-32-42(34-43)46-47(38-24-11-3-12-25-38)49(40-28-15-5-16-29-40)54-50(41-30-17-6-18-31-41)48(46)39-26-13-4-14-27-39/h1-35H
InChIKeyQDYJOEKHOXCELV-UHFFFAOYSA-N
XLogP13.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-bis(4-phenylphenyl)-2-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363690
2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363684
4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363662
2,4-bis(3,5-diphenylphenyl)-6-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363729
4-phenyl-2-(4-phenylphenyl)-6-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363809
4,6-bis(3-phenylphenyl)-2-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363784
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363657
4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 167363721
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine
CID 167363777
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
CID 175619331
4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 158511636

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (CID 167363817) is 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The InChIKey is QDYJOEKHOXCELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-7-20-36(21-8-1)44-35-45(37-22-9-2-10-23-37)53-51(52-44)43-33-19-32-42(34-43)46-47(38-24-11-3-12-25-38)49(40-28-15-5-16-29-40)54-50(41-30-17-6-18-31-41)48(46)39-26-13-4-14-27-39/h1-35H.
What are the key properties of 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine has a molecular weight of 689.86 g/mol, XLogP of 13.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is sourced from PubChem (CID 167363817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).