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

C63H43N3 — CID 167363684

IUPAC2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C63H43N3/c1-7-22-44(23-8-1)50-34-19-36-52(40-50)56-43-57(65-63(64-56)55-39-20-35-51(41-55)45-24-9-2-10-25-45)53-37-21-38-54(42-53)58-59(46-26-11-3-12-27-46)61(48-30-15-5-16-31-48)66-62(49-32-17-6-18-33-49)60(58)47-28-13-4-14-29-47/h1-43H
InChIKeyQQVNMPHGDQSEBQ-UHFFFAOYSA-N
MW842.06 g/mol
LogP16.54
Rot. Bonds10

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

2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (PubChem CID 167363684) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
PubChem CID167363684
Molecular FormulaC63H43N3
Molecular Weight842.06 g/mol
Exact Mass841.35
IUPAC Name2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C63H43N3/c1-7-22-44(23-8-1)50-34-19-36-52(40-50)56-43-57(65-63(64-56)55-39-20-35-51(41-55)45-24-9-2-10-25-45)53-37-21-38-54(42-53)58-59(46-26-11-3-12-27-46)61(48-30-15-5-16-31-48)66-62(49-32-17-6-18-33-49)60(58)47-28-13-4-14-29-47/h1-43H
InChIKeyQQVNMPHGDQSEBQ-UHFFFAOYSA-N
XLogP16.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-bis(3-phenylphenyl)-2-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363784
4,6-bis(4-phenylphenyl)-2-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363690
4-phenyl-2-(4-phenylphenyl)-6-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363809
4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363662
4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363817
2,4-bis(3,5-diphenylphenyl)-6-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363729
2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine
CID 167363777
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363657
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
CID 175619331
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 167363792
4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 167363721
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The IUPAC name of 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (CID 167363684) is 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The canonical SMILES for 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The InChIKey is QQVNMPHGDQSEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-7-22-44(23-8-1)50-34-19-36-52(40-50)56-43-57(65-63(64-56)55-39-20-35-51(41-55)45-24-9-2-10-25-45)53-37-21-38-54(42-53)58-59(46-26-11-3-12-27-46)61(48-30-15-5-16-31-48)66-62(49-32-17-6-18-33-49)60(58)47-28-13-4-14-29-47/h1-43H.
What are the key properties of 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine has a molecular weight of 842.06 g/mol, XLogP of 16.54, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is sourced from PubChem (CID 167363684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).