1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone

C28H46N2OSi — CID 19750803

About 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone

1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone (PubChem CID 19750803) has the molecular formula C28H46N2OSi and a molecular weight of 454.78 g/mol. Its IUPAC name is 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone
• PubChem CID: 19750803
• Molecular Formula: C28H46N2OSi
• Molecular Weight: 454.78 g/mol
• Exact Mass: 454.34
• IUPAC Name: 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone
• SMILES: CCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(C)=O)c(c23)C1
• InChI: InChI=1S/C28H46N2OSi/c1-10-14-29(15-11-2)24-16-23-18-30(32(19(3)4,20(5)6)21(7)8)27-13-12-25(22(9)31)26(17-24)28(23)27/h12-13,18-21,24H,10-11,14-17H2,1-9H3
• InChIKey: LORQKMQWRPCWOW-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.78
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone?

The IUPAC name of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone (CID 19750803) is 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone.

What is the SMILES notation for 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone?

The canonical SMILES for 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone is CCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(C)=O)c(c23)C1.

What is the InChIKey of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone?

The InChIKey is LORQKMQWRPCWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2OSi/c1-10-14-29(15-11-2)24-16-23-18-30(32(19(3)4,20(5)6)21(7)8)27-13-12-25(22(9)31)26(17-24)28(23)27/h12-13,18-21,24H,10-11,14-17H2,1-9H3.

What are the key properties of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone?

1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone has a molecular weight of 454.78 g/mol, XLogP of 7.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone is sourced from PubChem (CID 19750803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).