5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine

C29H23N3 — CID 10993350

IUPAC5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
SMILESCc1cnc(-c2cccc(-c3cc(-c4ccccc4)c(C)cn3)n2)cc1-c1ccccc1
InChIInChI=1S/C29H23N3/c1-20-18-30-28(16-24(20)22-10-5-3-6-11-22)26-14-9-15-27(32-26)29-17-25(21(2)19-31-29)23-12-7-4-8-13-23/h3-19H,1-2H3
InChIKeySHADASKBFUIUMN-UHFFFAOYSA-N
MW413.52 g/mol
LogP7.16
Rot. Bonds4

About 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine

5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine (PubChem CID 10993350) has the molecular formula C29H23N3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine.

Molecular Properties

Compound Name5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
PubChem CID10993350
Molecular FormulaC29H23N3
Molecular Weight413.52 g/mol
Exact Mass413.19
IUPAC Name5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
SMILESCc1cnc(-c2cccc(-c3cc(-c4ccccc4)c(C)cn3)n2)cc1-c1ccccc1
InChIInChI=1S/C29H23N3/c1-20-18-30-28(16-24(20)22-10-5-3-6-11-22)26-14-9-15-27(32-26)29-17-25(21(2)19-31-29)23-12-7-4-8-13-23/h3-19H,1-2H3
InChIKeySHADASKBFUIUMN-UHFFFAOYSA-N
XLogP7.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine?
The IUPAC name of 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine (CID 10993350) is 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine.
What is the SMILES notation for 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine?
The canonical SMILES for 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine is Cc1cnc(-c2cccc(-c3cc(-c4ccccc4)c(C)cn3)n2)cc1-c1ccccc1.
What is the InChIKey of 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine?
The InChIKey is SHADASKBFUIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3/c1-20-18-30-28(16-24(20)22-10-5-3-6-11-22)26-14-9-15-27(32-26)29-17-25(21(2)19-31-29)23-12-7-4-8-13-23/h3-19H,1-2H3.
What are the key properties of 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine?
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine has a molecular weight of 413.52 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine is sourced from PubChem (CID 10993350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).