5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine

C40H30N4 — CID 67990601

IUPAC5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)cn3)c(-c3ccc(-c4cccnc4)cc3)cc2-c2ccc(-c3cccnc3)cc2)nc1
InChIInChI=1S/C40H30N4/c1-27-7-17-39(43-23-27)37-22-38(40-18-8-28(2)24-44-40)36(32-15-11-30(12-16-32)34-6-4-20-42-26-34)21-35(37)31-13-9-29(10-14-31)33-5-3-19-41-25-33/h3-26H,1-2H3
InChIKeyNKNWNFSWHANSQT-UHFFFAOYSA-N
MW566.71 g/mol
LogP9.89
Rot. Bonds6

About 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine

5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine (PubChem CID 67990601) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine
PubChem CID67990601
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)cn3)c(-c3ccc(-c4cccnc4)cc3)cc2-c2ccc(-c3cccnc3)cc2)nc1
InChIInChI=1S/C40H30N4/c1-27-7-17-39(43-23-27)37-22-38(40-18-8-28(2)24-44-40)36(32-15-11-30(12-16-32)34-6-4-20-42-26-34)21-35(37)31-13-9-29(10-14-31)33-5-3-19-41-25-33/h3-26H,1-2H3
InChIKeyNKNWNFSWHANSQT-UHFFFAOYSA-N
XLogP9.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
CID 118348376
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822
3-[3,6,8-tris(4-methylphenyl)pyren-1-yl]pyridine
CID 58924986
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
3-azulen-6-ylpyridine
CID 86232079
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
cyclopenta[c]azepine
CID 638010
5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
CID 159579778
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168249

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine?
The IUPAC name of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine (CID 67990601) is 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine?
The canonical SMILES for 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine is Cc1ccc(-c2cc(-c3ccc(C)cn3)c(-c3ccc(-c4cccnc4)cc3)cc2-c2ccc(-c3cccnc3)cc2)nc1.
What is the InChIKey of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine?
The InChIKey is NKNWNFSWHANSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-27-7-17-39(43-23-27)37-22-38(40-18-8-28(2)24-44-40)36(32-15-11-30(12-16-32)34-6-4-20-42-26-34)21-35(37)31-13-9-29(10-14-31)33-5-3-19-41-25-33/h3-26H,1-2H3.
What are the key properties of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine?
5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine has a molecular weight of 566.71 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 67990601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).