2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine

C49H37N — CID 153429686

IUPAC2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
SMILESCc1cc(C)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C49H37N/c1-34-30-35(2)32-42(31-34)49-47(39-24-13-6-14-25-39)45(37-20-9-4-10-21-37)44(36-18-7-3-8-19-36)46(38-22-11-5-12-23-38)48(49)41-27-17-26-40(33-41)43-28-15-16-29-50-43/h3-33H,1-2H3
InChIKeyRYDNDFQLALCRAE-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.37
Rot. Bonds7

About 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine

2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine (PubChem CID 153429686) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
PubChem CID153429686
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
SMILESCc1cc(C)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C49H37N/c1-34-30-35(2)32-42(31-34)49-47(39-24-13-6-14-25-39)45(37-20-9-4-10-21-37)44(36-18-7-3-8-19-36)46(38-22-11-5-12-23-38)48(49)41-27-17-26-40(33-41)43-28-15-16-29-50-43/h3-33H,1-2H3
InChIKeyRYDNDFQLALCRAE-UHFFFAOYSA-N
XLogP13.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine (CID 153429686) is 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine is Cc1cc(C)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2cccc(-c3ccccn3)c2)c1.
What is the InChIKey of 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine?
The InChIKey is RYDNDFQLALCRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-34-30-35(2)32-42(31-34)49-47(39-24-13-6-14-25-39)45(37-20-9-4-10-21-37)44(36-18-7-3-8-19-36)46(38-22-11-5-12-23-38)48(49)41-27-17-26-40(33-41)43-28-15-16-29-50-43/h3-33H,1-2H3.
What are the key properties of 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine?
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine has a molecular weight of 639.84 g/mol, XLogP of 13.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine is sourced from PubChem (CID 153429686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).