(15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane

C25H22N2Si — CID 167365873

About (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane

(15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane (PubChem CID 167365873) has the molecular formula C25H22N2Si and a molecular weight of 380.56 g/mol. Its IUPAC name is (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane.

Molecular Properties

• Compound Name: (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane
• PubChem CID: 167365873
• Molecular Formula: C25H22N2Si
• Molecular Weight: 380.56 g/mol
• Exact Mass: 380.17
• IUPAC Name: (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane
• SMILES: [2H]c1nc2c3cc(C)cc4c5ccccc5n(c5cc([Si](C)(C)C)cc(c1[2H])c25)c43
• InChI: InChI=1S/C25H22N2Si/c1-15-11-19-18-7-5-6-8-21(18)27-22-14-17(28(2,3)4)13-16-9-10-26-24(23(16)22)20(12-15)25(19)27/h5-14H,1-4H3/i9D,10D
• InChIKey: VOUFNMKWWNIUGU-QDRJLNDYSA-N
• XLogP: 6.24
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.56
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane?

The IUPAC name of (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane (CID 167365873) is (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane.

What is the SMILES notation for (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane?

The canonical SMILES for (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane is [2H]c1nc2c3cc(C)cc4c5ccccc5n(c5cc([Si](C)(C)C)cc(c1[2H])c25)c43.

What is the InChIKey of (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane?

The InChIKey is VOUFNMKWWNIUGU-QDRJLNDYSA-N. The full InChI is InChI=1S/C25H22N2Si/c1-15-11-19-18-7-5-6-8-21(18)27-22-14-17(28(2,3)4)13-16-9-10-26-24(23(16)22)20(12-15)25(19)27/h5-14H,1-4H3/i9D,10D.

What are the key properties of (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane?

(15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane has a molecular weight of 380.56 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (15,16-dideuterio-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)-trimethylsilane is sourced from PubChem (CID 167365873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).