4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine

C41H27N7 — CID 102345540

IUPAC4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)nc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C41H27N7/c1-6-28(23-42-11-1)33-16-34(29-7-2-12-43-24-29)19-37(18-33)39-22-40(48-41(47-39)32-10-5-15-46-27-32)38-20-35(30-8-3-13-44-25-30)17-36(21-38)31-9-4-14-45-26-31/h1-27H
InChIKeyGGMRRLUCJRVQPF-UHFFFAOYSA-N
MW617.72 g/mol
LogP9.12
Rot. Bonds7

About 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine

4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine (PubChem CID 102345540) has the molecular formula C41H27N7 and a molecular weight of 617.72 g/mol. Its IUPAC name is 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
PubChem CID102345540
Molecular FormulaC41H27N7
Molecular Weight617.72 g/mol
Exact Mass617.23
IUPAC Name4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)nc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C41H27N7/c1-6-28(23-42-11-1)33-16-34(29-7-2-12-43-24-29)19-37(18-33)39-22-40(48-41(47-39)32-10-5-15-46-27-32)38-20-35(30-8-3-13-44-25-30)17-36(21-38)31-9-4-14-45-26-31/h1-27H
InChIKeyGGMRRLUCJRVQPF-UHFFFAOYSA-N
XLogP9.12
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.72
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
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
4-(3,5-dipyridin-3-ylphenyl)-2,6-diphenylpyridine
CID 58518535
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
CID 118582495
2,4-diphenyl-6-[3-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine
CID 163812765
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
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-(3,5-diphenylphenyl)pyridine
CID 141411458
4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-2-pyridin-3-ylpyrimidine
CID 145280952
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine (CID 102345540) is 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine is c1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)nc(-c4cccnc4)n3)c2)c1.
What is the InChIKey of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine?
The InChIKey is GGMRRLUCJRVQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N7/c1-6-28(23-42-11-1)33-16-34(29-7-2-12-43-24-29)19-37(18-33)39-22-40(48-41(47-39)32-10-5-15-46-27-32)38-20-35(30-8-3-13-44-25-30)17-36(21-38)31-9-4-14-45-26-31/h1-27H.
What are the key properties of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine?
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine has a molecular weight of 617.72 g/mol, XLogP of 9.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 102345540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).