4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline

C40H29N3 — CID 132567607

IUPAC4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline
SMILESNc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H29N3/c41-32-24-22-31(23-25-32)36-35(28-14-4-1-5-15-28)37(29-16-6-2-7-17-29)39(33-20-10-12-26-42-33)40(34-21-11-13-27-43-34)38(36)30-18-8-3-9-19-30/h1-27H,41H2
InChIKeyRQGBBNBEFXHNLO-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.06
Rot. Bonds6

About 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline

4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline (PubChem CID 132567607) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline
PubChem CID132567607
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline
SMILESNc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H29N3/c41-32-24-22-31(23-25-32)36-35(28-14-4-1-5-15-28)37(29-16-6-2-7-17-29)39(33-20-10-12-26-42-33)40(34-21-11-13-27-43-34)38(36)30-18-8-3-9-19-30/h1-27H,41H2
InChIKeyRQGBBNBEFXHNLO-UHFFFAOYSA-N
XLogP10.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline?
The IUPAC name of 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline (CID 132567607) is 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline.
What is the SMILES notation for 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline?
The canonical SMILES for 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline is Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline?
The InChIKey is RQGBBNBEFXHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c41-32-24-22-31(23-25-32)36-35(28-14-4-1-5-15-28)37(29-16-6-2-7-17-29)39(33-20-10-12-26-42-33)40(34-21-11-13-27-43-34)38(36)30-18-8-3-9-19-30/h1-27H,41H2.
What are the key properties of 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline?
4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline has a molecular weight of 551.69 g/mol, XLogP of 10.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline is sourced from PubChem (CID 132567607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).