4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine

C30H23N — CID 67805142

IUPAC4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
SMILESCc1cc(C=Cc2cccc3ccccc23)nc(C=Cc2cccc3ccccc23)c1
InChIInChI=1S/C30H23N/c1-22-20-27(18-16-25-12-6-10-23-8-2-4-14-29(23)25)31-28(21-22)19-17-26-13-7-11-24-9-3-5-15-30(24)26/h2-21H,1H3
InChIKeyGHPKFTONVDJYPI-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.04
Rot. Bonds4

About 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine

4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine (PubChem CID 67805142) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine.

Molecular Properties

Compound Name4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
PubChem CID67805142
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
SMILESCc1cc(C=Cc2cccc3ccccc23)nc(C=Cc2cccc3ccccc23)c1
InChIInChI=1S/C30H23N/c1-22-20-27(18-16-25-12-6-10-23-8-2-4-14-29(23)25)31-28(21-22)19-17-26-13-7-11-24-9-3-5-15-30(24)26/h2-21H,1H3
InChIKeyGHPKFTONVDJYPI-UHFFFAOYSA-N
XLogP8.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine?
The IUPAC name of 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine (CID 67805142) is 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine.
What is the SMILES notation for 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine?
The canonical SMILES for 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine is Cc1cc(C=Cc2cccc3ccccc23)nc(C=Cc2cccc3ccccc23)c1.
What is the InChIKey of 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine?
The InChIKey is GHPKFTONVDJYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-22-20-27(18-16-25-12-6-10-23-8-2-4-14-29(23)25)31-28(21-22)19-17-26-13-7-11-24-9-3-5-15-30(24)26/h2-21H,1H3.
What are the key properties of 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine?
4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine has a molecular weight of 397.52 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine is sourced from PubChem (CID 67805142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).