N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine

C41H59NSi — CID 162279059

About N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine

N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine (PubChem CID 162279059) has the molecular formula C41H59NSi and a molecular weight of 594.02 g/mol. Its IUPAC name is N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine
• PubChem CID: 162279059
• Molecular Formula: C41H59NSi
• Molecular Weight: 594.02 g/mol
• Exact Mass: 593.44
• IUPAC Name: N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine
• SMILES: CC1CC2C=C3C(=CC2C1[Si](C)(C)N(C1CCCCC1)C(C)(C)C)C(C)(C)c1cc(-c2ccc(C(C)(C)C)cc2)ccc13
• InChI: InChI=1S/C41H59NSi/c1-27-23-30-24-35-33-22-19-29(28-17-20-31(21-18-28)39(2,3)4)25-36(33)41(8,9)37(35)26-34(30)38(27)43(10,11)42(40(5,6)7)32-15-13-12-14-16-32/h17-22,24-27,30,32,34,38H,12-16,23H2,1-11H3
• InChIKey: QGWHBHXAIMBTAO-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.02
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine?

The IUPAC name of N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine (CID 162279059) is N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine.

What is the SMILES notation for N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine?

The canonical SMILES for N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine is CC1CC2C=C3C(=CC2C1[Si](C)(C)N(C1CCCCC1)C(C)(C)C)C(C)(C)c1cc(-c2ccc(C(C)(C)C)cc2)ccc13.

What is the InChIKey of N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine?

The InChIKey is QGWHBHXAIMBTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H59NSi/c1-27-23-30-24-35-33-22-19-29(28-17-20-31(21-18-28)39(2,3)4)25-36(33)41(8,9)37(35)26-34(30)38(27)43(10,11)42(40(5,6)7)32-15-13-12-14-16-32/h17-22,24-27,30,32,34,38H,12-16,23H2,1-11H3.

What are the key properties of N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine?

N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine has a molecular weight of 594.02 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[[7-(4-tert-butylphenyl)-2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine is sourced from PubChem (CID 162279059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).