2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine

C33H24N2 — CID 69082200

IUPAC2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine
SMILESC(=Cc1ccc(C=Cc2cccc3ccccc23)n1-c1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C33H24N2/c1-3-15-31-25(9-1)11-7-13-27(31)18-20-29-22-23-30(35(29)33-17-5-6-24-34-33)21-19-28-14-8-12-26-10-2-4-16-32(26)28/h1-24H
InChIKeyWXMPHRAXZQADFC-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.52
Rot. Bonds5

About 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine

2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine (PubChem CID 69082200) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine
PubChem CID69082200
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine
SMILESC(=Cc1ccc(C=Cc2cccc3ccccc23)n1-c1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C33H24N2/c1-3-15-31-25(9-1)11-7-13-27(31)18-20-29-22-23-30(35(29)33-17-5-6-24-34-33)21-19-28-14-8-12-26-10-2-4-16-32(26)28/h1-24H
InChIKeyWXMPHRAXZQADFC-UHFFFAOYSA-N
XLogP8.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine?
The IUPAC name of 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine (CID 69082200) is 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine?
The canonical SMILES for 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine is C(=Cc1ccc(C=Cc2cccc3ccccc23)n1-c1ccccn1)c1cccc2ccccc12.
What is the InChIKey of 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine?
The InChIKey is WXMPHRAXZQADFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-3-15-31-25(9-1)11-7-13-27(31)18-20-29-22-23-30(35(29)33-17-5-6-24-34-33)21-19-28-14-8-12-26-10-2-4-16-32(26)28/h1-24H.
What are the key properties of 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine?
2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine has a molecular weight of 448.57 g/mol, XLogP of 8.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-naphthalen-1-ylethenyl)pyrrol-1-yl]pyridine is sourced from PubChem (CID 69082200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).