spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]

C22H14N2Si — CID 20810990

IUPACspiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]
SMILESc1ccc2c(c1)-c1ccccc1[Si]21c2ncccc2-c2cccnc21
InChIInChI=1S/C22H14N2Si/c1-3-11-19-15(7-1)16-8-2-4-12-20(16)25(19)21-17(9-5-13-23-21)18-10-6-14-24-22(18)25/h1-14H
InChIKeyNCCPISZAUVRBTD-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.81
Rot. Bonds

About spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]

spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole] (PubChem CID 20810990) has the molecular formula C22H14N2Si and a molecular weight of 334.45 g/mol. Its IUPAC name is spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole].

Molecular Properties

Compound Namespiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]
PubChem CID20810990
Molecular FormulaC22H14N2Si
Molecular Weight334.45 g/mol
Exact Mass334.09
IUPAC Namespiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]
SMILESc1ccc2c(c1)-c1ccccc1[Si]21c2ncccc2-c2cccnc21
InChIInChI=1S/C22H14N2Si/c1-3-11-19-15(7-1)16-8-2-4-12-20(16)25(19)21-17(9-5-13-23-21)18-10-6-14-24-22(18)25/h1-14H
InChIKeyNCCPISZAUVRBTD-UHFFFAOYSA-N
XLogP1.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole] with MolForge

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Related Compounds

7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403
7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661586
8-phenyl-8-[6-(8-phenyl-6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58389817
8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58389793
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane
CID 140775193
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 174062573
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
CID 70019746
CID 70019746
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262163
3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616

Frequently Asked Questions

What is the IUPAC name of spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]?
The IUPAC name of spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole] (CID 20810990) is spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole].
What is the SMILES notation for spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]?
The canonical SMILES for spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole] is c1ccc2c(c1)-c1ccccc1[Si]21c2ncccc2-c2cccnc21.
What is the InChIKey of spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]?
The InChIKey is NCCPISZAUVRBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2Si/c1-3-11-19-15(7-1)16-8-2-4-12-20(16)25(19)21-17(9-5-13-23-21)18-10-6-14-24-22(18)25/h1-14H.
What are the key properties of spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]?
spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole] has a molecular weight of 334.45 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 20810990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).