[(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane

C37H38N2Si — CID 58634764

About [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane

[(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane (PubChem CID 58634764) has the molecular formula C37H38N2Si and a molecular weight of 538.81 g/mol. Its IUPAC name is [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane.

Molecular Properties

• Compound Name: [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane
• PubChem CID: 58634764
• Molecular Formula: C37H38N2Si
• Molecular Weight: 538.81 g/mol
• Exact Mass: 538.28
• IUPAC Name: [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane
• SMILES: CC[C@@H]1C[C@@H]2C(c3cccc(-c4ccccc4)c3)=CC=C[C@@H]2C1[Si](C)(C)N1c2ccccc2Nc2ccccc21
• InChI: InChI=1S/C37H38N2Si/c1-4-26-25-32-30(29-17-12-16-28(24-29)27-14-6-5-7-15-27)18-13-19-31(32)37(26)40(2,3)39-35-22-10-8-20-33(35)38-34-21-9-11-23-36(34)39/h5-24,26,31-32,37-38H,4,25H2,1-3H3/t26-,31+,32-,37?/m1/s1
• InChIKey: PNJJQUKSXKSIRH-WCIJOIRTSA-N
• XLogP: 10.44
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.81
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane?

The IUPAC name of [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane (CID 58634764) is [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane.

What is the SMILES notation for [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane?

The canonical SMILES for [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane is CC[C@@H]1C[C@@H]2C(c3cccc(-c4ccccc4)c3)=CC=C[C@@H]2C1[Si](C)(C)N1c2ccccc2Nc2ccccc21.

What is the InChIKey of [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane?

The InChIKey is PNJJQUKSXKSIRH-WCIJOIRTSA-N. The full InChI is InChI=1S/C37H38N2Si/c1-4-26-25-32-30(29-17-12-16-28(24-29)27-14-6-5-7-15-27)18-13-19-31(32)37(26)40(2,3)39-35-22-10-8-20-33(35)38-34-21-9-11-23-36(34)39/h5-24,26,31-32,37-38H,4,25H2,1-3H3/t26-,31+,32-,37?/m1/s1.

What are the key properties of [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane?

[(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane has a molecular weight of 538.81 g/mol, XLogP of 10.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane is sourced from PubChem (CID 58634764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).