5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine

C40H43N — CID 140777693

IUPAC5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine
SMILESCCCCc1ccc(-c2c(C)c(-c3ccc(CCCC)cc3)c(C)c(-c3ccc(-c4ccccc4)nc3)c2C)cc1
InChIInChI=1S/C40H43N/c1-6-8-13-31-17-21-34(22-18-31)38-28(3)39(35-23-19-32(20-24-35)14-9-7-2)30(5)40(29(38)4)36-25-26-37(41-27-36)33-15-11-10-12-16-33/h10-12,15-27H,6-9,13-14H2,1-5H3
InChIKeyAJDKDNBAIXITIL-UHFFFAOYSA-N
MW537.79 g/mol
LogP11.36
Rot. Bonds10

About 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine

5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine (PubChem CID 140777693) has the molecular formula C40H43N and a molecular weight of 537.79 g/mol. Its IUPAC name is 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine
PubChem CID140777693
Molecular FormulaC40H43N
Molecular Weight537.79 g/mol
Exact Mass537.34
IUPAC Name5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine
SMILESCCCCc1ccc(-c2c(C)c(-c3ccc(CCCC)cc3)c(C)c(-c3ccc(-c4ccccc4)nc3)c2C)cc1
InChIInChI=1S/C40H43N/c1-6-8-13-31-17-21-34(22-18-31)38-28(3)39(35-23-19-32(20-24-35)14-9-7-2)30(5)40(29(38)4)36-25-26-37(41-27-36)33-15-11-10-12-16-33/h10-12,15-27H,6-9,13-14H2,1-5H3
InChIKeyAJDKDNBAIXITIL-UHFFFAOYSA-N
XLogP11.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.79
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
2-[6-(4-butylphenyl)-3-pyridinyl]-5-hexylpyrimidine
CID 86172659
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
1-butyl-4-phenylbenzene;ethane
CID 143743409
[4-[6-(4-hexylphenyl)-3-pyridinyl]phenyl]-phenylmethanone
CID 59538564
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine?
The IUPAC name of 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine (CID 140777693) is 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine.
What is the SMILES notation for 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine?
The canonical SMILES for 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine is CCCCc1ccc(-c2c(C)c(-c3ccc(CCCC)cc3)c(C)c(-c3ccc(-c4ccccc4)nc3)c2C)cc1.
What is the InChIKey of 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine?
The InChIKey is AJDKDNBAIXITIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43N/c1-6-8-13-31-17-21-34(22-18-31)38-28(3)39(35-23-19-32(20-24-35)14-9-7-2)30(5)40(29(38)4)36-25-26-37(41-27-36)33-15-11-10-12-16-33/h10-12,15-27H,6-9,13-14H2,1-5H3.
What are the key properties of 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine?
5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine has a molecular weight of 537.79 g/mol, XLogP of 11.36, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine is sourced from PubChem (CID 140777693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).