2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine

C34H23N9 — CID 148814308

IUPAC2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine
SMILESCc1cc(-c2ncccn2)ncc1-c1cc(-c2ccc(-c3ncccn3)nc2)cc(-c2ccc(-c3ncccn3)nc2)c1
InChIInChI=1S/C34H23N9/c1-22-15-31(34-39-13-4-14-40-34)43-21-28(22)27-17-25(23-5-7-29(41-19-23)32-35-9-2-10-36-32)16-26(18-27)24-6-8-30(42-20-24)33-37-11-3-12-38-33/h2-21H,1H3
InChIKeyOQNJDHZLYQFKJR-UHFFFAOYSA-N
MW557.62 g/mol
LogP6.55
Rot. Bonds6

About 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine

2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine (PubChem CID 148814308) has the molecular formula C34H23N9 and a molecular weight of 557.62 g/mol. Its IUPAC name is 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine
PubChem CID148814308
Molecular FormulaC34H23N9
Molecular Weight557.62 g/mol
Exact Mass557.21
IUPAC Name2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine
SMILESCc1cc(-c2ncccn2)ncc1-c1cc(-c2ccc(-c3ncccn3)nc2)cc(-c2ccc(-c3ncccn3)nc2)c1
InChIInChI=1S/C34H23N9/c1-22-15-31(34-39-13-4-14-40-34)43-21-28(22)27-17-25(23-5-7-29(41-19-23)32-35-9-2-10-36-32)16-26(18-27)24-6-8-30(42-20-24)33-37-11-3-12-38-33/h2-21H,1H3
InChIKeyOQNJDHZLYQFKJR-UHFFFAOYSA-N
XLogP6.55
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.62
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 153434753
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
CID 118348376
2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134225954
2-(4-chlorophenyl)-4-methyl-5-pyridin-2-ylpyridine
CID 23550256
2,4-dinaphthalen-1-yl-6-[3-phenanthren-9-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 122416044
2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))
CID 153434642
2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine
CID 146333792
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine?
The IUPAC name of 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine (CID 148814308) is 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine?
The canonical SMILES for 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine is Cc1cc(-c2ncccn2)ncc1-c1cc(-c2ccc(-c3ncccn3)nc2)cc(-c2ccc(-c3ncccn3)nc2)c1.
What is the InChIKey of 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine?
The InChIKey is OQNJDHZLYQFKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N9/c1-22-15-31(34-39-13-4-14-40-34)43-21-28(22)27-17-25(23-5-7-29(41-19-23)32-35-9-2-10-36-32)16-26(18-27)24-6-8-30(42-20-24)33-37-11-3-12-38-33/h2-21H,1H3.
What are the key properties of 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine?
2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine has a molecular weight of 557.62 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine is sourced from PubChem (CID 148814308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).