[15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane

C30H32N2Si — CID 167365883

IUPAC[15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane
SMILES[2H]c1nc2c3cc(C)cc4c5ccc(CC(C)(C)C)cc5n(c5cc([Si](C)(C)C)cc(c1[2H])c25)c43
InChIInChI=1S/C30H32N2Si/c1-18-12-23-22-9-8-19(17-30(2,3)4)14-25(22)32-26-16-21(33(5,6)7)15-20-10-11-31-28(27(20)26)24(13-18)29(23)32/h8-16H,17H2,1-7H3/i10D,11D
InChIKeyUMYQZDZYLKDADT-MIBQVNFTSA-N
MW450.70 g/mol
LogP7.83
Rot. Bonds2

About [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane

[15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane (PubChem CID 167365883) has the molecular formula C30H32N2Si and a molecular weight of 450.70 g/mol. Its IUPAC name is [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane.

Molecular Properties

Compound Name[15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane
PubChem CID167365883
Molecular FormulaC30H32N2Si
Molecular Weight450.70 g/mol
Exact Mass450.25
IUPAC Name[15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane
SMILES[2H]c1nc2c3cc(C)cc4c5ccc(CC(C)(C)C)cc5n(c5cc([Si](C)(C)C)cc(c1[2H])c25)c43
InChIInChI=1S/C30H32N2Si/c1-18-12-23-22-9-8-19(17-30(2,3)4)14-25(22)32-26-16-21(33(5,6)7)15-20-10-11-31-28(27(20)26)24(13-18)29(23)32/h8-16H,17H2,1-7H3/i10D,11D
InChIKeyUMYQZDZYLKDADT-MIBQVNFTSA-N
XLogP7.83
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.70
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
[4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane
CID 170684512
5,23-bis(2,2-dimethylpropyl)-1,18-diazaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2(7),3,5,8(26),9,11,13,15,17,19,21,23,25(27)-tridecaene
CID 166029372
[12,13-dideuterio-20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2(7),3,5,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-4-yl]-trimethylsilane
CID 169015232
4-(2,2-dimethylpropyl)-11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685092
CID 166030339
CID 166030339
4,24-bis(2,2-dimethylpropyl)-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2(7),3,5,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
CID 170233832
CID 167365877
CID 167365877
[20,24-bis(2,2-dimethylpropyl)-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16(25),17,19,21,23,26-tridecaen-10-yl]phosphane
CID 170234278
4-deuterio-19-(2,2-dimethylpropyl)-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[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)-undecaene
CID 166030361
9,20-bis(2,2-dimethylpropyl)-24-methyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16(25),17,19,21,23,26-tridecaene
CID 170232867
5-tert-butyl-20,24-bis(2,2-dimethylpropyl)-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2(7),3,5,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
CID 170233310

Frequently Asked Questions

What is the IUPAC name of [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?
The IUPAC name of [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane (CID 167365883) is [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane.
What is the SMILES notation for [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?
The canonical SMILES for [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane is [2H]c1nc2c3cc(C)cc4c5ccc(CC(C)(C)C)cc5n(c5cc([Si](C)(C)C)cc(c1[2H])c25)c43.
What is the InChIKey of [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?
The InChIKey is UMYQZDZYLKDADT-MIBQVNFTSA-N. The full InChI is InChI=1S/C30H32N2Si/c1-18-12-23-22-9-8-19(17-30(2,3)4)14-25(22)32-26-16-21(33(5,6)7)15-20-10-11-31-28(27(20)26)24(13-18)29(23)32/h8-16H,17H2,1-7H3/i10D,11D.
What are the key properties of [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?
[15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane has a molecular weight of 450.70 g/mol, XLogP of 7.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [15,16-dideuterio-4-(2,2-dimethylpropyl)-10-methyl-1,14-diazahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane is sourced from PubChem (CID 167365883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).