2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline

C29H23ClN2 — CID 71428349

IUPAC2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline
SMILESNc1ccccc1N1C(c2ccccc2)=CC(c2ccc(Cl)cc2)C=C1c1ccccc1
InChIInChI=1S/C29H23ClN2/c30-25-17-15-21(16-18-25)24-19-28(22-9-3-1-4-10-22)32(27-14-8-7-13-26(27)31)29(20-24)23-11-5-2-6-12-23/h1-20,24H,31H2
InChIKeyINGVDTRWDYOFRY-UHFFFAOYSA-N
MW434.97 g/mol
LogP7.61
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline

2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline (PubChem CID 71428349) has the molecular formula C29H23ClN2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline
PubChem CID71428349
Molecular FormulaC29H23ClN2
Molecular Weight434.97 g/mol
Exact Mass434.15
IUPAC Name2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline
SMILESNc1ccccc1N1C(c2ccccc2)=CC(c2ccc(Cl)cc2)C=C1c1ccccc1
InChIInChI=1S/C29H23ClN2/c30-25-17-15-21(16-18-25)24-19-28(22-9-3-1-4-10-22)32(27-14-8-7-13-26(27)31)29(20-24)23-11-5-2-6-12-23/h1-20,24H,31H2
InChIKeyINGVDTRWDYOFRY-UHFFFAOYSA-N
XLogP7.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline (CID 71428349) is 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline is Nc1ccccc1N1C(c2ccccc2)=CC(c2ccc(Cl)cc2)C=C1c1ccccc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline?
The InChIKey is INGVDTRWDYOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2/c30-25-17-15-21(16-18-25)24-19-28(22-9-3-1-4-10-22)32(27-14-8-7-13-26(27)31)29(20-24)23-11-5-2-6-12-23/h1-20,24H,31H2.
What are the key properties of 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline?
2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline has a molecular weight of 434.97 g/mol, XLogP of 7.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2,6-diphenyl-4H-pyridin-1-yl]aniline is sourced from PubChem (CID 71428349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).