4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine

C40H26N8 — CID 163783283

IUPAC4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)c4)c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C40H26N8/c1-3-19-43-33(15-1)37-23-35(45-39(47-37)31-13-7-17-41-25-31)29-11-5-9-27(21-29)28-10-6-12-30(22-28)36-24-38(34-16-2-4-20-44-34)48-40(46-36)32-14-8-18-42-26-32/h1-26H
InChIKeyMQKXBUSEEQJJRN-UHFFFAOYSA-N
MW618.70 g/mol
LogP8.52
Rot. Bonds7

About 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine

4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine (PubChem CID 163783283) has the molecular formula C40H26N8 and a molecular weight of 618.70 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
PubChem CID163783283
Molecular FormulaC40H26N8
Molecular Weight618.70 g/mol
Exact Mass618.23
IUPAC Name4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)c4)c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C40H26N8/c1-3-19-43-33(15-1)37-23-35(45-39(47-37)31-13-7-17-41-25-31)29-11-5-9-27(21-29)28-10-6-12-30(22-28)36-24-38(34-16-2-4-20-44-34)48-40(46-36)32-14-8-18-42-26-32/h1-26H
InChIKeyMQKXBUSEEQJJRN-UHFFFAOYSA-N
XLogP8.52
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(10-phenylanthracen-9-yl)phenyl]-2-pyridin-3-yl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 118314136
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)-2-pyridinyl]pyridine
CID 130326858
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline
CID 160543284
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine (CID 163783283) is 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)c4)c3)nc(-c3cccnc3)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
The InChIKey is MQKXBUSEEQJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N8/c1-3-19-43-33(15-1)37-23-35(45-39(47-37)31-13-7-17-41-25-31)29-11-5-9-27(21-29)28-10-6-12-30(22-28)36-24-38(34-16-2-4-20-44-34)48-40(46-36)32-14-8-18-42-26-32/h1-26H.
What are the key properties of 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine has a molecular weight of 618.70 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 163783283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).