1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine

C32H28Cl2N4 — CID 121471723

IUPAC1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3nncc(N4CCC(Nc5ccccc5)CC4)c3c2)cc1
InChIInChI=1S/C32H28Cl2N4/c33-25-11-6-22(7-12-25)32(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)31(21-35-37-30)38-18-16-28(17-19-38)36-27-4-2-1-3-5-27/h1-15,20-21,28,32,36H,16-19H2
InChIKeyOONFJWGBMBMTSV-UHFFFAOYSA-N
MW539.51 g/mol
LogP8.20
Rot. Bonds6

About 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine

1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine (PubChem CID 121471723) has the molecular formula C32H28Cl2N4 and a molecular weight of 539.51 g/mol. Its IUPAC name is 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine
PubChem CID121471723
Molecular FormulaC32H28Cl2N4
Molecular Weight539.51 g/mol
Exact Mass538.17
IUPAC Name1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3nncc(N4CCC(Nc5ccccc5)CC4)c3c2)cc1
InChIInChI=1S/C32H28Cl2N4/c33-25-11-6-22(7-12-25)32(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)31(21-35-37-30)38-18-16-28(17-19-38)36-27-4-2-1-3-5-27/h1-15,20-21,28,32,36H,16-19H2
InChIKeyOONFJWGBMBMTSV-UHFFFAOYSA-N
XLogP8.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.51
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine?
The IUPAC name of 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine (CID 121471723) is 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine.
What is the SMILES notation for 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine?
The canonical SMILES for 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine is Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3nncc(N4CCC(Nc5ccccc5)CC4)c3c2)cc1.
What is the InChIKey of 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine?
The InChIKey is OONFJWGBMBMTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2N4/c33-25-11-6-22(7-12-25)32(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)31(21-35-37-30)38-18-16-28(17-19-38)36-27-4-2-1-3-5-27/h1-15,20-21,28,32,36H,16-19H2.
What are the key properties of 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine?
1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine has a molecular weight of 539.51 g/mol, XLogP of 8.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-N-phenylpiperidin-4-amine is sourced from PubChem (CID 121471723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).