6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

C28H22ClN3 — CID 11597268

IUPAC6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C28H22ClN3/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-23-9-6-12-28(30)31-23)22-15-13-21(14-16-22)20-7-2-1-3-8-20/h1-18H,19H2,(H2,30,31)
InChIKeyNPZMLNIJDITFEF-UHFFFAOYSA-N
MW435.96 g/mol
LogP7.17
Rot. Bonds5

About 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 11597268) has the molecular formula C28H22ClN3 and a molecular weight of 435.96 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID11597268
Molecular FormulaC28H22ClN3
Molecular Weight435.96 g/mol
Exact Mass435.15
IUPAC Name6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C28H22ClN3/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-23-9-6-12-28(30)31-23)22-15-13-21(14-16-22)20-7-2-1-3-8-20/h1-18H,19H2,(H2,30,31)
InChIKeyNPZMLNIJDITFEF-UHFFFAOYSA-N
XLogP7.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (CID 11597268) is 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is Nc1cccc(Cn2c(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccccc2Cl)n1.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is NPZMLNIJDITFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-23-9-6-12-28(30)31-23)22-15-13-21(14-16-22)20-7-2-1-3-8-20/h1-18H,19H2,(H2,30,31).
What are the key properties of 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 435.96 g/mol, XLogP of 7.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 11597268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).