1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane

C34H41N — CID 142022182

About 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane

1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane (PubChem CID 142022182) has the molecular formula C34H41N and a molecular weight of 463.71 g/mol. Its IUPAC name is 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane.

Molecular Properties

• Compound Name: 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane
• PubChem CID: 142022182
• Molecular Formula: C34H41N
• Molecular Weight: 463.71 g/mol
• Exact Mass: 463.32
• IUPAC Name: 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane
• SMILES: C.C=C(C=CC=C1Nc2ccc3c(c2C1(C)C)C=CCC3)C(C)(C)c1c(C)ccc2c1C=CCC2
• InChI: InChI=1S/C33H37N.CH4/c1-22-18-19-24-13-7-9-15-26(24)30(22)32(3,4)23(2)12-11-17-29-33(5,6)31-27-16-10-8-14-25(27)20-21-28(31)34-29;/h9-12,15-21,34H,2,7-8,13-14H2,1,3-6H3;1H4
• InChIKey: BNKZQWRSBIHCJF-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.71
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane?

The IUPAC name of 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane (CID 142022182) is 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane.

What is the SMILES notation for 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane?

The canonical SMILES for 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane is C.C=C(C=CC=C1Nc2ccc3c(c2C1(C)C)C=CCC3)C(C)(C)c1c(C)ccc2c1C=CCC2.

What is the InChIKey of 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane?

The InChIKey is BNKZQWRSBIHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N.CH4/c1-22-18-19-24-13-7-9-15-26(24)30(22)32(3,4)23(2)12-11-17-29-33(5,6)31-27-16-10-8-14-25(27)20-21-28(31)34-29;/h9-12,15-21,34H,2,7-8,13-14H2,1,3-6H3;1H4.

What are the key properties of 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane?

1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane has a molecular weight of 463.71 g/mol, XLogP of 9.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane is sourced from PubChem (CID 142022182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).