(2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile

C60H70F8N6O2Si2 — CID 86722367

About (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile

(2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile (PubChem CID 86722367) has the molecular formula C60H70F8N6O2Si2 and a molecular weight of 1115.42 g/mol. Its IUPAC name is (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile.

Molecular Properties

• Compound Name: (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile
• PubChem CID: 86722367
• Molecular Formula: C60H70F8N6O2Si2
• Molecular Weight: 1115.42 g/mol
• Exact Mass: 1114.50
• IUPAC Name: (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile
• SMILES: CC[Si](CC)(CC)O[C@@]1(C(F)(F)F)CC[C@]2(C#N)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@H]2C1.CC[Si](CC)(CC)O[C@]1(C(F)(F)F)CC[C@@]2(C#N)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@@H]2C1
• InChI: InChI=1S/2C30H35F4N3OSi/c2*1-4-39(5-2,6-3)38-29(30(32,33)34)15-14-28(20-35)23(18-29)9-7-8-21-17-27-22(16-26(21)28)19-36-37(27)25-12-10-24(31)11-13-25/h2*10-13,16-17,19,23H,4-9,14-15,18H2,1-3H3/t2*23-,28+,29-/m10/s1
• InChIKey: ODKBSSUGURULJJ-PEZATSNHSA-N
• XLogP: 16.77
• TPSA: 101.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.42
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile?

The IUPAC name of (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile (CID 86722367) is (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile.

What is the SMILES notation for (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile?

The canonical SMILES for (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile is CC[Si](CC)(CC)O[C@@]1(C(F)(F)F)CC[C@]2(C#N)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@H]2C1.CC[Si](CC)(CC)O[C@]1(C(F)(F)F)CC[C@@]2(C#N)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@@H]2C1.

What is the InChIKey of (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile?

The InChIKey is ODKBSSUGURULJJ-PEZATSNHSA-N. The full InChI is InChI=1S/2C30H35F4N3OSi/c2*1-4-39(5-2,6-3)38-29(30(32,33)34)15-14-28(20-35)23(18-29)9-7-8-21-17-27-22(16-26(21)28)19-36-37(27)25-12-10-24(31)11-13-25/h2*10-13,16-17,19,23H,4-9,14-15,18H2,1-3H3/t2*23-,28+,29-/m10/s1.

What are the key properties of (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile?

(2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile has a molecular weight of 1115.42 g/mol, XLogP of 16.77, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R,7R)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile;(2R,5S,7S)-14-(4-fluorophenyl)-5-triethylsilyloxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene-2-carbonitrile is sourced from PubChem (CID 86722367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).