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

C40H57NSi — CID 162279057

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

N-tert-butyl-N-[[7-(4-tert-butylphenyl)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine (PubChem CID 162279057) has the molecular formula C40H57NSi and a molecular weight of 579.99 g/mol. Its IUPAC name is N-tert-butyl-N-[[7-(4-tert-butylphenyl)-9,9-dimethyl-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)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine
• PubChem CID: 162279057
• Molecular Formula: C40H57NSi
• Molecular Weight: 579.99 g/mol
• Exact Mass: 579.43
• IUPAC Name: N-tert-butyl-N-[[7-(4-tert-butylphenyl)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine
• SMILES: CC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)C2=CC4C(C=C23)CCC4[Si](C)(C)N(C2CCCCC2)C(C)(C)C)cc1
• InChI: InChI=1S/C40H57NSi/c1-38(2,3)30-20-16-27(17-21-30)28-18-22-32-34-24-29-19-23-37(33(29)26-36(34)40(7,8)35(32)25-28)42(9,10)41(39(4,5)6)31-14-12-11-13-15-31/h16-18,20-22,24-26,29,31,33,37H,11-15,19,23H2,1-10H3
• InChIKey: FTZOXUOKYQKZBT-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.99
LogP ≤ 5	11.30
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)-9,9-dimethyl-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)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine (CID 162279057) is N-tert-butyl-N-[[7-(4-tert-butylphenyl)-9,9-dimethyl-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)-9,9-dimethyl-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)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine is CC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)C2=CC4C(C=C23)CCC4[Si](C)(C)N(C2CCCCC2)C(C)(C)C)cc1.

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

The InChIKey is FTZOXUOKYQKZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H57NSi/c1-38(2,3)30-20-16-27(17-21-30)28-18-22-32-34-24-29-19-23-37(33(29)26-36(34)40(7,8)35(32)25-28)42(9,10)41(39(4,5)6)31-14-12-11-13-15-31/h16-18,20-22,24-26,29,31,33,37H,11-15,19,23H2,1-10H3.

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

N-tert-butyl-N-[[7-(4-tert-butylphenyl)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine has a molecular weight of 579.99 g/mol, XLogP of 11.30, 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)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]cyclohexanamine is sourced from PubChem (CID 162279057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).