2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine

C50H34N4 — CID 175619331

IUPAC2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C50H34N4/c1-6-18-35(19-7-1)40-28-16-29-41(32-40)45-34-44(36-20-8-2-9-21-36)51-50(52-45)43-31-17-30-42(33-43)49-48(39-26-14-5-15-27-39)53-46(37-22-10-3-11-23-37)47(54-49)38-24-12-4-13-25-38/h1-34H
InChIKeyNFHAYDISGIDDDX-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.60
Rot. Bonds8

About 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine

2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine (PubChem CID 175619331) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
PubChem CID175619331
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C50H34N4/c1-6-18-35(19-7-1)40-28-16-29-41(32-40)45-34-44(36-20-8-2-9-21-36)51-50(52-45)43-31-17-30-42(33-43)49-48(39-26-14-5-15-27-39)53-46(37-22-10-3-11-23-37)47(54-49)38-24-12-4-13-25-38/h1-34H
InChIKeyNFHAYDISGIDDDX-UHFFFAOYSA-N
XLogP12.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 156562939
2,4-bis(3,5-diphenylphenyl)-6-phenylpyridine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]pyridine;4-phenyl-2,6-bis[3-(4-phenylphenyl)phenyl]pyridine
CID 159753320
2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 151298818
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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
4,6-bis(4-phenylphenyl)-2-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363690

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine?
The IUPAC name of 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine (CID 175619331) is 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine.
What is the SMILES notation for 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine?
The canonical SMILES for 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine?
The InChIKey is NFHAYDISGIDDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-6-18-35(19-7-1)40-28-16-29-41(32-40)45-34-44(36-20-8-2-9-21-36)51-50(52-45)43-31-17-30-42(33-43)49-48(39-26-14-5-15-27-39)53-46(37-22-10-3-11-23-37)47(54-49)38-24-12-4-13-25-38/h1-34H.
What are the key properties of 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine?
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine has a molecular weight of 690.85 g/mol, XLogP of 12.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine is sourced from PubChem (CID 175619331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).