2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine

C40H29N — CID 163572146

IUPAC2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5Cc5cccc6ccccc56)c4)c3)c2)nc1
InChIInChI=1S/C40H29N/c1-3-21-38-29(11-1)13-7-18-36(38)28-34-12-2-4-22-39(34)35-19-9-16-32(26-35)30-14-8-15-31(25-30)33-17-10-20-37(27-33)40-23-5-6-24-41-40/h1-27H,28H2
InChIKeyCJKXODQBCITJIU-UHFFFAOYSA-N
MW523.68 g/mol
LogP10.49
Rot. Bonds6

About 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine

2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 163572146) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID163572146
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5Cc5cccc6ccccc56)c4)c3)c2)nc1
InChIInChI=1S/C40H29N/c1-3-21-38-29(11-1)13-7-18-36(38)28-34-12-2-4-22-39(34)35-19-9-16-32(26-35)30-14-8-15-31(25-30)33-17-10-20-37(27-33)40-23-5-6-24-41-40/h1-27H,28H2
InChIKeyCJKXODQBCITJIU-UHFFFAOYSA-N
XLogP10.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-phenylphenyl)phenyl]pyridine
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CID 156551175
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CID 149428077
2-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 118313976
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 163572146) is 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5Cc5cccc6ccccc56)c4)c3)c2)nc1.
What is the InChIKey of 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is CJKXODQBCITJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-3-21-38-29(11-1)13-7-18-36(38)28-34-12-2-4-22-39(34)35-19-9-16-32(26-35)30-14-8-15-31(25-30)33-17-10-20-37(27-33)40-23-5-6-24-41-40/h1-27H,28H2.
What are the key properties of 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine?
2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 523.68 g/mol, XLogP of 10.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 163572146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).