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

C29H22Cl2N2 — CID 71428347

IUPAC2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline
SMILESNc1ccccc1N1C(c2ccc(Cl)cc2)=CC(c2ccccc2)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C29H22Cl2N2/c30-24-14-10-21(11-15-24)28-18-23(20-6-2-1-3-7-20)19-29(22-12-16-25(31)17-13-22)33(28)27-9-5-4-8-26(27)32/h1-19,23H,32H2
InChIKeyGHZVWIBNALEEAQ-UHFFFAOYSA-N
MW469.42 g/mol
LogP8.26
Rot. Bonds4

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

2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline (PubChem CID 71428347) has the molecular formula C29H22Cl2N2 and a molecular weight of 469.42 g/mol. Its IUPAC name is 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline.

Molecular Properties

Compound Name2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline
PubChem CID71428347
Molecular FormulaC29H22Cl2N2
Molecular Weight469.42 g/mol
Exact Mass468.12
IUPAC Name2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline
SMILESNc1ccccc1N1C(c2ccc(Cl)cc2)=CC(c2ccccc2)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C29H22Cl2N2/c30-24-14-10-21(11-15-24)28-18-23(20-6-2-1-3-7-20)19-29(22-12-16-25(31)17-13-22)33(28)27-9-5-4-8-26(27)32/h1-19,23H,32H2
InChIKeyGHZVWIBNALEEAQ-UHFFFAOYSA-N
XLogP8.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 58.26
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-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline?
The IUPAC name of 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline (CID 71428347) is 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline.
What is the SMILES notation for 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline?
The canonical SMILES for 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline is Nc1ccccc1N1C(c2ccc(Cl)cc2)=CC(c2ccccc2)C=C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline?
The InChIKey is GHZVWIBNALEEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N2/c30-24-14-10-21(11-15-24)28-18-23(20-6-2-1-3-7-20)19-29(22-12-16-25(31)17-13-22)33(28)27-9-5-4-8-26(27)32/h1-19,23H,32H2.
What are the key properties of 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline?
2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline has a molecular weight of 469.42 g/mol, XLogP of 8.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(4-chlorophenyl)-4-phenyl-4H-pyridin-1-yl]aniline is sourced from PubChem (CID 71428347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).