10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene

C30H26N2Si — CID 123517443

IUPAC10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
SMILESCc1nc2c3ccccc3c3cccc4c3n2c1C[Si]4(c1ccccc1)C1C=CC=CC1C
InChIInChI=1S/C30H26N2Si/c1-20-11-6-9-17-27(20)33(22-12-4-3-5-13-22)19-26-21(2)31-30-25-15-8-7-14-23(25)24-16-10-18-28(33)29(24)32(26)30/h3-18,20,27H,19H2,1-2H3
InChIKeyONXGGPNOSFBSAD-UHFFFAOYSA-N
MW442.64 g/mol
LogP5.74
Rot. Bonds2

About 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene

10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene (PubChem CID 123517443) has the molecular formula C30H26N2Si and a molecular weight of 442.64 g/mol. Its IUPAC name is 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene.

Molecular Properties

Compound Name10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
PubChem CID123517443
Molecular FormulaC30H26N2Si
Molecular Weight442.64 g/mol
Exact Mass442.19
IUPAC Name10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
SMILESCc1nc2c3ccccc3c3cccc4c3n2c1C[Si]4(c1ccccc1)C1C=CC=CC1C
InChIInChI=1S/C30H26N2Si/c1-20-11-6-9-17-27(20)33(22-12-4-3-5-13-22)19-26-21(2)31-30-25-15-8-7-14-23(25)24-16-10-18-28(33)29(24)32(26)30/h3-18,20,27H,19H2,1-2H3
InChIKeyONXGGPNOSFBSAD-UHFFFAOYSA-N
XLogP5.74
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 55.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?
The IUPAC name of 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene (CID 123517443) is 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene.
What is the SMILES notation for 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?
The canonical SMILES for 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene is Cc1nc2c3ccccc3c3cccc4c3n2c1C[Si]4(c1ccccc1)C1C=CC=CC1C.
What is the InChIKey of 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?
The InChIKey is ONXGGPNOSFBSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2Si/c1-20-11-6-9-17-27(20)33(22-12-4-3-5-13-22)19-26-21(2)31-30-25-15-8-7-14-23(25)24-16-10-18-28(33)29(24)32(26)30/h3-18,20,27H,19H2,1-2H3.
What are the key properties of 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?
10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene has a molecular weight of 442.64 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-13-(6-methylcyclohexa-2,4-dien-1-yl)-13-phenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene is sourced from PubChem (CID 123517443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).