2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene

C20H16N2Si — CID 165170345

IUPAC2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
SMILESC[Si]1(C)c2ncccc2-c2nccc3c2c1cc1ccccc13
InChIInChI=1S/C20H16N2Si/c1-23(2)17-12-13-6-3-4-7-14(13)15-9-11-21-19(18(15)17)16-8-5-10-22-20(16)23/h3-12H,1-2H3
InChIKeyCTFMLQXQGJVARD-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.59
Rot. Bonds

About 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene

2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene (PubChem CID 165170345) has the molecular formula C20H16N2Si and a molecular weight of 312.45 g/mol. Its IUPAC name is 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
PubChem CID165170345
Molecular FormulaC20H16N2Si
Molecular Weight312.45 g/mol
Exact Mass312.11
IUPAC Name2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
SMILESC[Si]1(C)c2ncccc2-c2nccc3c2c1cc1ccccc13
InChIInChI=1S/C20H16N2Si/c1-23(2)17-12-13-6-3-4-7-14(13)15-9-11-21-19(18(15)17)16-8-5-10-22-20(16)23/h3-12H,1-2H3
InChIKeyCTFMLQXQGJVARD-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.59
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_3', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene with MolForge

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Related Compounds

2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 165170188
6,8,28,28-tetramethyl-7,16-diaza-28-silaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880842
CID 165170222
CID 165170222
28,28-difluoro-6,8-dimethyl-7,16-diaza-28-silaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176881001
2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaene
CID 158524296
28-phenyl-16,28-diazaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880851
methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene
CID 157448357
16,18-dimethyl-2-thia-10,17-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 165170193
10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
CID 176802716
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 23245300
1-(15,22-diphenyl-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaenyl)isoquinoline
CID 58309797

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
The IUPAC name of 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene (CID 165170345) is 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
The canonical SMILES for 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene is C[Si]1(C)c2ncccc2-c2nccc3c2c1cc1ccccc13.
What is the InChIKey of 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
The InChIKey is CTFMLQXQGJVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2Si/c1-23(2)17-12-13-6-3-4-7-14(13)15-9-11-21-19(18(15)17)16-8-5-10-22-20(16)23/h3-12H,1-2H3.
What are the key properties of 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene has a molecular weight of 312.45 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 165170345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).