[(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium

C31H35Cl2N3SiTi-2 — CID 58634129

About [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium

[(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium (PubChem CID 58634129) has the molecular formula C31H35Cl2N3SiTi-2 and a molecular weight of 596.50 g/mol. Its IUPAC name is [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium.

Molecular Properties

• Compound Name: [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
• PubChem CID: 58634129
• Molecular Formula: C31H35Cl2N3SiTi-2
• Molecular Weight: 596.50 g/mol
• Exact Mass: 595.15
• IUPAC Name: [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
• SMILES: CC[C@@H]1C[C@@H]2C(c3ccccc3)=CC=N[C@@H]2C1[Si](C)(C)N1c2ccccc2[N-]c2ccccc21.Cl[Ti]Cl.[CH3-]
• InChI: InChI=1S/C30H32N3Si.CH3.2ClH.Ti/c1-4-21-20-24-23(22-12-6-5-7-13-22)18-19-31-29(24)30(21)34(2,3)33-27-16-10-8-14-25(27)32-26-15-9-11-17-28(26)33;;;;/h5-19,21,24,29-30H,4,20H2,1-3H3;1H3;2*1H;/q2*-1;;;+2/p-2/t21-,24-,29+,30?;;;;/m1..../s1
• InChIKey: FZKJNKCWYQAGIN-JKIRIBKCSA-L
• XLogP: 10.46
• TPSA: 29.70 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.50
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

The IUPAC name of [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium (CID 58634129) is [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium.

What is the SMILES notation for [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

The canonical SMILES for [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium is CC[C@@H]1C[C@@H]2C(c3ccccc3)=CC=N[C@@H]2C1[Si](C)(C)N1c2ccccc2[N-]c2ccccc21.Cl[Ti]Cl.[CH3-].

What is the InChIKey of [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

The InChIKey is FZKJNKCWYQAGIN-JKIRIBKCSA-L. The full InChI is InChI=1S/C30H32N3Si.CH3.2ClH.Ti/c1-4-21-20-24-23(22-12-6-5-7-13-22)18-19-31-29(24)30(21)34(2,3)33-27-16-10-8-14-25(27)32-26-15-9-11-17-28(26)33;;;;/h5-19,21,24,29-30H,4,20H2,1-3H3;1H3;2*1H;/q2*-1;;;+2/p-2/t21-,24-,29+,30?;;;;/m1..../s1.

What are the key properties of [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

[(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium has a molecular weight of 596.50 g/mol, XLogP of 10.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aR,6R,7aS)-6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium is sourced from PubChem (CID 58634129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).