[(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium

C39H42Cl2N2SiTi-2 — CID 58634317

About [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium

[(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium (PubChem CID 58634317) has the molecular formula C39H42Cl2N2SiTi-2 and a molecular weight of 685.64 g/mol. Its IUPAC name is [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium.

Molecular Properties

• Compound Name: [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
• PubChem CID: 58634317
• Molecular Formula: C39H42Cl2N2SiTi-2
• Molecular Weight: 685.64 g/mol
• Exact Mass: 684.20
• IUPAC Name: [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
• SMILES: CC(C)[C@@H]1C[C@@H]2C(c3cccc(-c4ccccc4)c3)=CC=C[C@@H]2C1[Si](C)(C)N1c2ccccc2[N-]c2ccccc21.Cl[Ti]Cl.[CH3-]
• InChI: InChI=1S/C38H39N2Si.CH3.2ClH.Ti/c1-26(2)32-25-33-30(29-17-12-16-28(24-29)27-14-6-5-7-15-27)18-13-19-31(33)38(32)41(3,4)40-36-22-10-8-20-34(36)39-35-21-9-11-23-37(35)40;;;;/h5-24,26,31-33,38H,25H2,1-4H3;1H3;2*1H;/q2*-1;;;+2/p-2/t31-,32-,33+,38?;;;;/m0..../s1
• InChIKey: OAZMBZVFUDXOQW-RQARXVQFSA-L
• XLogP: 13.11
• TPSA: 17.34 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.64
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

The IUPAC name of [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium (CID 58634317) is [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium.

What is the SMILES notation for [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

The canonical SMILES for [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium is CC(C)[C@@H]1C[C@@H]2C(c3cccc(-c4ccccc4)c3)=CC=C[C@@H]2C1[Si](C)(C)N1c2ccccc2[N-]c2ccccc21.Cl[Ti]Cl.[CH3-].

What is the InChIKey of [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

The InChIKey is OAZMBZVFUDXOQW-RQARXVQFSA-L. The full InChI is InChI=1S/C38H39N2Si.CH3.2ClH.Ti/c1-26(2)32-25-33-30(29-17-12-16-28(24-29)27-14-6-5-7-15-27)18-13-19-31(33)38(32)41(3,4)40-36-22-10-8-20-34(36)39-35-21-9-11-23-37(35)40;;;;/h5-24,26,31-33,38H,25H2,1-4H3;1H3;2*1H;/q2*-1;;;+2/p-2/t31-,32-,33+,38?;;;;/m0..../s1.

What are the key properties of [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium?

[(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium has a molecular weight of 685.64 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium is sourced from PubChem (CID 58634317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).