10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

C29H22N2Si — CID 123769932

IUPAC10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
SMILESCc1nc2c3ccccc3c3cccc4c3n2c1[Si](c1ccccc1)(c1ccccc1)C4
InChIInChI=1S/C29H22N2Si/c1-20-29-31-27-21(11-10-18-25(27)24-16-8-9-17-26(24)28(31)30-20)19-32(29,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-18H,19H2,1H3
InChIKeyVVFTZMHVCKZREI-UHFFFAOYSA-N
MW426.60 g/mol
LogP4.51
Rot. Bonds2

About 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (PubChem CID 123769932) has the molecular formula C29H22N2Si and a molecular weight of 426.60 g/mol. Its IUPAC name is 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

Molecular Properties

Compound Name10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
PubChem CID123769932
Molecular FormulaC29H22N2Si
Molecular Weight426.60 g/mol
Exact Mass426.16
IUPAC Name10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
SMILESCc1nc2c3ccccc3c3cccc4c3n2c1[Si](c1ccccc1)(c1ccccc1)C4
InChIInChI=1S/C29H22N2Si/c1-20-29-31-27-21(11-10-18-25(27)24-16-8-9-17-26(24)28(31)30-20)19-32(29,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-18H,19H2,1H3
InChIKeyVVFTZMHVCKZREI-UHFFFAOYSA-N
XLogP4.51
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 54.51
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 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
The IUPAC name of 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (CID 123769932) is 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.
What is the SMILES notation for 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
The canonical SMILES for 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is Cc1nc2c3ccccc3c3cccc4c3n2c1[Si](c1ccccc1)(c1ccccc1)C4.
What is the InChIKey of 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
The InChIKey is VVFTZMHVCKZREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2Si/c1-20-29-31-27-21(11-10-18-25(27)24-16-8-9-17-26(24)28(31)30-20)19-32(29,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-18H,19H2,1H3.
What are the key properties of 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene has a molecular weight of 426.60 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is sourced from PubChem (CID 123769932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).