N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline

C211H215F3N12 — CID 158063326

IUPACN-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(c1cccc(-c2cccc3ccccc23)n1)c1cccc2ccccc12.CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2c3ccccc3cc3ccccc23)n1.CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccccc2C(F)(F)F)n1.Cc1cc(C)c(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c(C)c1.Cc1cc(C)cc(C(Nc2c(C(C)C)cccc2C(C)C)c2cccc(-c3cccc4ccccc34)n2)c1.Cc1ccccc1C(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/2C38H36N2.C36H38N2.C35H36N2.C33H38N2.C31H31F3N2/c1-25(2)29-19-11-20-30(26(3)4)37(29)40-38(34-22-10-16-28-14-6-8-18-32(28)34)36-24-12-23-35(39-36)33-21-9-15-27-13-5-7-17-31(27)33;1-25(2)30-20-12-21-31(26(3)4)38(30)40-37(27-14-6-5-7-15-27)35-23-13-22-34(39-35)36-32-18-10-8-16-28(32)24-29-17-9-11-19-33(29)36;1-23(2)29-15-10-16-30(24(3)4)36(29)38-35(28-21-25(5)20-26(6)22-28)34-19-11-18-33(37-34)32-17-9-13-27-12-7-8-14-31(27)32;1-23(2)27-18-11-19-28(24(3)4)34(27)37-35(29-16-8-6-13-25(29)5)33-22-12-21-32(36-33)31-20-10-15-26-14-7-9-17-30(26)31;1-21(2)27-15-11-16-28(22(3)4)33(27)35-32(26-13-9-8-10-14-26)30-18-12-17-29(34-30)31-24(6)19-23(5)20-25(31)7;1-20(2)23-15-10-16-24(21(3)4)30(23)36-29(22-12-6-5-7-13-22)28-19-11-18-27(35-28)25-14-8-9-17-26(25)31(32,33)34/h5-26,38,40H,1-4H3;5-26,37,40H,1-4H3;7-24,35,38H,1-6H3;6-24,35,37H,1-5H3;8-22,32,35H,1-7H3;5-21,29,36H,1-4H3
InChIKeyFKXORWBNBLLECK-UHFFFAOYSA-N
MW2976.12 g/mol
LogP58.97
Rot. Bonds42

About N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline

N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline (PubChem CID 158063326) has the molecular formula C211H215F3N12 and a molecular weight of 2976.12 g/mol. Its IUPAC name is N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
PubChem CID158063326
Molecular FormulaC211H215F3N12
Molecular Weight2976.12 g/mol
Exact Mass2973.71
IUPAC NameN-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(c1cccc(-c2cccc3ccccc23)n1)c1cccc2ccccc12.CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2c3ccccc3cc3ccccc23)n1.CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccccc2C(F)(F)F)n1.Cc1cc(C)c(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c(C)c1.Cc1cc(C)cc(C(Nc2c(C(C)C)cccc2C(C)C)c2cccc(-c3cccc4ccccc34)n2)c1.Cc1ccccc1C(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/2C38H36N2.C36H38N2.C35H36N2.C33H38N2.C31H31F3N2/c1-25(2)29-19-11-20-30(26(3)4)37(29)40-38(34-22-10-16-28-14-6-8-18-32(28)34)36-24-12-23-35(39-36)33-21-9-15-27-13-5-7-17-31(27)33;1-25(2)30-20-12-21-31(26(3)4)38(30)40-37(27-14-6-5-7-15-27)35-23-13-22-34(39-35)36-32-18-10-8-16-28(32)24-29-17-9-11-19-33(29)36;1-23(2)29-15-10-16-30(24(3)4)36(29)38-35(28-21-25(5)20-26(6)22-28)34-19-11-18-33(37-34)32-17-9-13-27-12-7-8-14-31(27)32;1-23(2)27-18-11-19-28(24(3)4)34(27)37-35(29-16-8-6-13-25(29)5)33-22-12-21-32(36-33)31-20-10-15-26-14-7-9-17-30(26)31;1-21(2)27-15-11-16-28(22(3)4)33(27)35-32(26-13-9-8-10-14-26)30-18-12-17-29(34-30)31-24(6)19-23(5)20-25(31)7;1-20(2)23-15-10-16-24(21(3)4)30(23)36-29(22-12-6-5-7-13-22)28-19-11-18-27(35-28)25-14-8-9-17-26(25)31(32,33)34/h5-26,38,40H,1-4H3;5-26,37,40H,1-4H3;7-24,35,38H,1-6H3;6-24,35,37H,1-5H3;8-22,32,35H,1-7H3;5-21,29,36H,1-4H3
InChIKeyFKXORWBNBLLECK-UHFFFAOYSA-N
XLogP58.97
TPSA149.52 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds42
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002976.12
LogP ≤ 558.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline (CID 158063326) is N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC(c1cccc(-c2cccc3ccccc23)n1)c1cccc2ccccc12.CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2c3ccccc3cc3ccccc23)n1.CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccccc2C(F)(F)F)n1.Cc1cc(C)c(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c(C)c1.Cc1cc(C)cc(C(Nc2c(C(C)C)cccc2C(C)C)c2cccc(-c3cccc4ccccc34)n2)c1.Cc1ccccc1C(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is FKXORWBNBLLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H36N2.C36H38N2.C35H36N2.C33H38N2.C31H31F3N2/c1-25(2)29-19-11-20-30(26(3)4)37(29)40-38(34-22-10-16-28-14-6-8-18-32(28)34)36-24-12-23-35(39-36)33-21-9-15-27-13-5-7-17-31(27)33;1-25(2)30-20-12-21-31(26(3)4)38(30)40-37(27-14-6-5-7-15-27)35-23-13-22-34(39-35)36-32-18-10-8-16-28(32)24-29-17-9-11-19-33(29)36;1-23(2)29-15-10-16-30(24(3)4)36(29)38-35(28-21-25(5)20-26(6)22-28)34-19-11-18-33(37-34)32-17-9-13-27-12-7-8-14-31(27)32;1-23(2)27-18-11-19-28(24(3)4)34(27)37-35(29-16-8-6-13-25(29)5)33-22-12-21-32(36-33)31-20-10-15-26-14-7-9-17-30(26)31;1-21(2)27-15-11-16-28(22(3)4)33(27)35-32(26-13-9-8-10-14-26)30-18-12-17-29(34-30)31-24(6)19-23(5)20-25(31)7;1-20(2)23-15-10-16-24(21(3)4)30(23)36-29(22-12-6-5-7-13-22)28-19-11-18-27(35-28)25-14-8-9-17-26(25)31(32,33)34/h5-26,38,40H,1-4H3;5-26,37,40H,1-4H3;7-24,35,38H,1-6H3;6-24,35,37H,1-5H3;8-22,32,35H,1-7H3;5-21,29,36H,1-4H3.
What are the key properties of N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 2976.12 g/mol, XLogP of 58.97, 42 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-anthracen-9-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(3,5-dimethylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[naphthalen-1-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 158063326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).