4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine

C35H32N4 — CID 144936335

About 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine

4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine (PubChem CID 144936335) has the molecular formula C35H32N4 and a molecular weight of 508.67 g/mol. Its IUPAC name is 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine.

Molecular Properties

• Compound Name: 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine
• PubChem CID: 144936335
• Molecular Formula: C35H32N4
• Molecular Weight: 508.67 g/mol
• Exact Mass: 508.26
• IUPAC Name: 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine
• SMILES: C=CC1=C(C=C)C(C)(C)c2ccccc2N1c1ccc(N)c2ccccc12.[H]/N=C1C(=N\[H])\C=Cc2ccccc2\1
• InChI: InChI=1S/C25H24N2.C10H8N2/c1-5-19-22(6-2)27(24-14-10-9-13-20(24)25(19,3)4)23-16-15-21(26)17-11-7-8-12-18(17)23;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-16H,1-2,26H2,3-4H3;1-6,11-12H/b;11-9+,12-10-
• InChIKey: AICSEXGWSWPKGS-YAKWFZIYSA-N
• XLogP: 8.58
• TPSA: 76.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.67
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine?

The IUPAC name of 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine (CID 144936335) is 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine.

What is the SMILES notation for 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine?

The canonical SMILES for 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine is C=CC1=C(C=C)C(C)(C)c2ccccc2N1c1ccc(N)c2ccccc12.[H]/N=C1C(=N\[H])\C=Cc2ccccc2\1.

What is the InChIKey of 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine?

The InChIKey is AICSEXGWSWPKGS-YAKWFZIYSA-N. The full InChI is InChI=1S/C25H24N2.C10H8N2/c1-5-19-22(6-2)27(24-14-10-9-13-20(24)25(19,3)4)23-16-15-21(26)17-11-7-8-12-18(17)23;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-16H,1-2,26H2,3-4H3;1-6,11-12H/b;11-9+,12-10-.

What are the key properties of 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine?

4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine has a molecular weight of 508.67 g/mol, XLogP of 8.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine is sourced from PubChem (CID 144936335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).