2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine

C49H33N5 — CID 163565213

IUPAC2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4ccccc4-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)cc1
InChIInChI=1S/C49H33N5/c1-4-16-34(17-5-1)39-31-47(43-26-12-13-29-50-43)52-48(32-39)44-28-15-27-42(51-44)41-25-11-10-24-40(41)37-22-14-23-38(30-37)46-33-45(35-18-6-2-7-19-35)53-49(54-46)36-20-8-3-9-21-36/h1-33H
InChIKeyFUPFKNNGJMOCSF-UHFFFAOYSA-N
MW691.84 g/mol
LogP12.00
Rot. Bonds8

About 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine

2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine (PubChem CID 163565213) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
PubChem CID163565213
Molecular FormulaC49H33N5
Molecular Weight691.84 g/mol
Exact Mass691.27
IUPAC Name2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4ccccc4-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)cc1
InChIInChI=1S/C49H33N5/c1-4-16-34(17-5-1)39-31-47(43-26-12-13-29-50-43)52-48(32-39)44-28-15-27-42(51-44)41-25-11-10-24-40(41)37-22-14-23-38(30-37)46-33-45(35-18-6-2-7-19-35)53-49(54-46)36-20-8-3-9-21-36/h1-33H
InChIKeyFUPFKNNGJMOCSF-UHFFFAOYSA-N
XLogP12.00
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817201
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2,4-diphenyl-6-[2-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 163762426
2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 164816961
4,6-diphenyl-2-[4-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
CID 165014167
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2,4-diphenyl-6-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyrimidine
CID 164816956
2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 164817190
2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 165050181
2-[2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenylpyrimidine
CID 164816888
2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165107682
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine (CID 163565213) is 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4ccccc4-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine?
The InChIKey is FUPFKNNGJMOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-4-16-34(17-5-1)39-31-47(43-26-12-13-29-50-43)52-48(32-39)44-28-15-27-42(51-44)41-25-11-10-24-40(41)37-22-14-23-38(30-37)46-33-45(35-18-6-2-7-19-35)53-49(54-46)36-20-8-3-9-21-36/h1-33H.
What are the key properties of 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine?
2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine has a molecular weight of 691.84 g/mol, XLogP of 12.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 163565213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).