3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine

C48H44N2 — CID 59609437

IUPAC3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(C)cc(C)c(-c3cccnc3)c2C)c(-c2ccccc2C)cc1-c1c(C)cc(C)c(-c2cccnc2)c1C
InChIInChI=1S/C48H44N2/c1-29-15-9-11-19-39(29)41-25-44(48-34(6)24-32(4)46(36(48)8)38-18-14-22-50-28-38)42(40-20-12-10-16-30(40)2)26-43(41)47-33(5)23-31(3)45(35(47)7)37-17-13-21-49-27-37/h9-28H,1-8H3
InChIKeyFYDUZDPDZHLNHB-UHFFFAOYSA-N
MW648.89 g/mol
LogP12.95
Rot. Bonds6

About 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine

3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine (PubChem CID 59609437) has the molecular formula C48H44N2 and a molecular weight of 648.89 g/mol. Its IUPAC name is 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine.

Molecular Properties

Compound Name3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine
PubChem CID59609437
Molecular FormulaC48H44N2
Molecular Weight648.89 g/mol
Exact Mass648.35
IUPAC Name3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(C)cc(C)c(-c3cccnc3)c2C)c(-c2ccccc2C)cc1-c1c(C)cc(C)c(-c2cccnc2)c1C
InChIInChI=1S/C48H44N2/c1-29-15-9-11-19-39(29)41-25-44(48-34(6)24-32(4)46(36(48)8)38-18-14-22-50-28-38)42(40-20-12-10-16-30(40)2)26-43(41)47-33(5)23-31(3)45(35(47)7)37-17-13-21-49-27-37/h9-28H,1-8H3
InChIKeyFYDUZDPDZHLNHB-UHFFFAOYSA-N
XLogP12.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.89
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 59609416
3-(2-methylphenyl)pyridine
CID 4133191
2-(2-methylphenyl)-4-pyridin-3-ylbenzene-1,3-diol
CID 15509097
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
CID 59609379
3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
CID 122224358
3-methyl-2-pyridin-3-ylaniline
CID 22482419
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 159010834
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine?
The IUPAC name of 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine (CID 59609437) is 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine.
What is the SMILES notation for 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine?
The canonical SMILES for 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine is Cc1ccccc1-c1cc(-c2c(C)cc(C)c(-c3cccnc3)c2C)c(-c2ccccc2C)cc1-c1c(C)cc(C)c(-c2cccnc2)c1C.
What is the InChIKey of 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine?
The InChIKey is FYDUZDPDZHLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N2/c1-29-15-9-11-19-39(29)41-25-44(48-34(6)24-32(4)46(36(48)8)38-18-14-22-50-28-38)42(40-20-12-10-16-30(40)2)26-43(41)47-33(5)23-31(3)45(35(47)7)37-17-13-21-49-27-37/h9-28H,1-8H3.
What are the key properties of 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine?
3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine has a molecular weight of 648.89 g/mol, XLogP of 12.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,5-bis(2-methylphenyl)-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine is sourced from PubChem (CID 59609437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).