18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene

C31H22N2Si — CID 152972287

IUPAC18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1c-2c2cnccc2c2ccncc12
InChIInChI=1S/C31H22N2Si/c1-21-12-13-26-29(18-21)34(22-8-4-2-5-9-22,23-10-6-3-7-11-23)31-28-20-33-17-15-25(28)24-14-16-32-19-27(24)30(26)31/h2-20H,1H3
InChIKeyUSSHKTQBULZEFH-UHFFFAOYSA-N
MW450.62 g/mol
LogP4.45
Rot. Bonds2

About 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene

18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene (PubChem CID 152972287) has the molecular formula C31H22N2Si and a molecular weight of 450.62 g/mol. Its IUPAC name is 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene.

Molecular Properties

Compound Name18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
PubChem CID152972287
Molecular FormulaC31H22N2Si
Molecular Weight450.62 g/mol
Exact Mass450.16
IUPAC Name18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1c-2c2cnccc2c2ccncc12
InChIInChI=1S/C31H22N2Si/c1-21-12-13-26-29(18-21)34(22-8-4-2-5-9-22,23-10-6-3-7-11-23)31-28-20-33-17-15-25(28)24-14-16-32-19-27(24)30(26)31/h2-20H,1H3
InChIKeyUSSHKTQBULZEFH-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 54.45
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 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene?
The IUPAC name of 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene (CID 152972287) is 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene.
What is the SMILES notation for 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene?
The canonical SMILES for 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene is Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1c-2c2cnccc2c2ccncc12.
What is the InChIKey of 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene?
The InChIKey is USSHKTQBULZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2Si/c1-21-12-13-26-29(18-21)34(22-8-4-2-5-9-22,23-10-6-3-7-11-23)31-28-20-33-17-15-25(28)24-14-16-32-19-27(24)30(26)31/h2-20H,1H3.
What are the key properties of 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene?
18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene has a molecular weight of 450.62 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene is sourced from PubChem (CID 152972287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).