N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline

C₈₉H₈₅N₃ — CID 158670691

About N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline

N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline (PubChem CID 158670691) has the molecular formula C₈₉H₈₅N₃ and a molecular weight of 1196.68 g/mol. Its IUPAC name is N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline.

Molecular Properties

• Compound Name: N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
• PubChem CID: 158670691
• Molecular Formula: C₈₉H₈₅N₃
• Molecular Weight: 1196.68 g/mol
• Exact Mass: 1195.67
• IUPAC Name: N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
• SMILES: CCc1ccc(N(C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(CC)cc2)cc1.CCc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(=CN(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C32H33N.C29H27N.C28H25N/c1-5-26-11-19-30(20-12-26)33(31-21-13-27(6-2)14-22-31)23-32(28-15-7-24(3)8-16-28)29-17-9-25(4)10-18-29;1-3-24-16-20-28(21-17-24)30(27-18-14-23(2)15-19-27)22-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-22-13-17-24(18-14-22)28(25-19-15-23(2)16-20-25)21-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h7-23H,5-6H2,1-4H3;4-22H,3H2,1-2H3;3-21H,1-2H3
• InChIKey: IDXJWAIUBJJNFJ-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.68
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?

The IUPAC name of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline (CID 158670691) is N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline.

What is the SMILES notation for N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?

The canonical SMILES for N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline is CCc1ccc(N(C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(CC)cc2)cc1.CCc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(=CN(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.

What is the InChIKey of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?

The InChIKey is IDXJWAIUBJJNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N.C29H27N.C28H25N/c1-5-26-11-19-30(20-12-26)33(31-21-13-27(6-2)14-22-31)23-32(28-15-7-24(3)8-16-28)29-17-9-25(4)10-18-29;1-3-24-16-20-28(21-17-24)30(27-18-14-23(2)15-19-27)22-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-22-13-17-24(18-14-22)28(25-19-15-23(2)16-20-25)21-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h7-23H,5-6H2,1-4H3;4-22H,3H2,1-2H3;3-21H,1-2H3.

What are the key properties of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?

N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline has a molecular weight of 1196.68 g/mol, XLogP of 23.97, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline is sourced from PubChem (CID 158670691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158670691 — identifiers, structure, computed properties (public domain)

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