2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine

C144H110Cl6N12O2S — CID 158937410

IUPAC2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine
SMILESClc1ccc(C(Nc2ccncc2)(c2ccccc2)c2ccccc2)cc1.Clc1ccccc1C(Nc1ccccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ccncc1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1.O=C1c2ccccc2C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C27H18ClNO2.3C24H19ClN2.C23H18ClN3.C22H17ClN2S/c28-24-18-10-9-17-23(24)27(19-11-3-1-4-12-19,20-13-5-2-6-14-20)29-25(30)21-15-7-8-16-22(21)26(29)31;25-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-23-17-9-10-18-26-23;25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)27-21-15-17-26-18-16-21;25-22-13-11-21(12-14-22)24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)27-23-15-17-26-18-16-23;24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22;23-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)25-21-24-15-16-26-21/h1-18H;3*1-18H,(H,26,27);1-17H,(H,25,26,27);1-16H,(H,24,25)
InChIKeyJJVAUQCVFOHWLA-UHFFFAOYSA-N
MW2285.33 g/mol
LogP36.08
Rot. Bonds29

About 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine

2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine (PubChem CID 158937410) has the molecular formula C144H110Cl6N12O2S and a molecular weight of 2285.33 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine
PubChem CID158937410
Molecular FormulaC144H110Cl6N12O2S
Molecular Weight2285.33 g/mol
Exact Mass2280.67
IUPAC Name2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine
SMILESClc1ccc(C(Nc2ccncc2)(c2ccccc2)c2ccccc2)cc1.Clc1ccccc1C(Nc1ccccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ccncc1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1.O=C1c2ccccc2C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C27H18ClNO2.3C24H19ClN2.C23H18ClN3.C22H17ClN2S/c28-24-18-10-9-17-23(24)27(19-11-3-1-4-12-19,20-13-5-2-6-14-20)29-25(30)21-15-7-8-16-22(21)26(29)31;25-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-23-17-9-10-18-26-23;25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)27-21-15-17-26-18-16-21;25-22-13-11-21(12-14-22)24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)27-23-15-17-26-18-16-23;24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22;23-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)25-21-24-15-16-26-21/h1-18H;3*1-18H,(H,26,27);1-17H,(H,25,26,27);1-16H,(H,24,25)
InChIKeyJJVAUQCVFOHWLA-UHFFFAOYSA-N
XLogP36.08
TPSA174.87 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002285.33
LogP ≤ 536.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine (CID 158937410) is 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine is Clc1ccc(C(Nc2ccncc2)(c2ccccc2)c2ccccc2)cc1.Clc1ccccc1C(Nc1ccccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ccncc1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1.O=C1c2ccccc2C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
The InChIKey is JJVAUQCVFOHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO2.3C24H19ClN2.C23H18ClN3.C22H17ClN2S/c28-24-18-10-9-17-23(24)27(19-11-3-1-4-12-19,20-13-5-2-6-14-20)29-25(30)21-15-7-8-16-22(21)26(29)31;25-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-23-17-9-10-18-26-23;25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)27-21-15-17-26-18-16-21;25-22-13-11-21(12-14-22)24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)27-23-15-17-26-18-16-23;24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22;23-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)25-21-24-15-16-26-21/h1-18H;3*1-18H,(H,26,27);1-17H,(H,25,26,27);1-16H,(H,24,25).
What are the key properties of 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine has a molecular weight of 2285.33 g/mol, XLogP of 36.08, 29 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-diphenylmethyl]isoindole-1,3-dione;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 158937410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).