1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole

C30H33N — CID 59902058

About 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole

1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole (PubChem CID 59902058) has the molecular formula C30H33N and a molecular weight of 407.60 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole.

Molecular Properties

• Compound Name: 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole
• PubChem CID: 59902058
• Molecular Formula: C30H33N
• Molecular Weight: 407.60 g/mol
• Exact Mass: 407.26
• IUPAC Name: 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole
• SMILES: CC1=C(C=CC=CC=CC=C2N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
• InChI: InChI=1S/C30H33N/c1-22-23-16-12-13-18-25(23)29(2,3)24(22)17-10-8-7-9-11-21-28-30(4,5)26-19-14-15-20-27(26)31(28)6/h7-21H,1-6H3
• InChIKey: WFRSOGSDOGQTJA-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.60
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
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 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole?

The IUPAC name of 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole (CID 59902058) is 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole.

What is the SMILES notation for 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole?

The canonical SMILES for 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole is CC1=C(C=CC=CC=CC=C2N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.

What is the InChIKey of 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole?

The InChIKey is WFRSOGSDOGQTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N/c1-22-23-16-12-13-18-25(23)29(2,3)24(22)17-10-8-7-9-11-21-28-30(4,5)26-19-14-15-20-27(26)31(28)6/h7-21H,1-6H3.

What are the key properties of 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole?

1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole has a molecular weight of 407.60 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole is sourced from PubChem (CID 59902058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).