2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene

C29H20N2Si — CID 123882658

IUPAC2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene
SMILESCC12c3ccccc3[Si]1(c1ccccc1)c1cnc3c4ccccc4c4cccc2c4n13
InChIInChI=1S/C29H20N2Si/c1-29-23-15-7-8-17-25(23)32(29,19-10-3-2-4-11-19)26-18-30-28-22-13-6-5-12-20(22)21-14-9-16-24(29)27(21)31(26)28/h2-18H,1H3
InChIKeyCURRDNJIXVYDLU-UHFFFAOYSA-N
MW424.58 g/mol
LogP4.28
Rot. Bonds1

About 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene

2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene (PubChem CID 123882658) has the molecular formula C29H20N2Si and a molecular weight of 424.58 g/mol. Its IUPAC name is 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene
PubChem CID123882658
Molecular FormulaC29H20N2Si
Molecular Weight424.58 g/mol
Exact Mass424.14
IUPAC Name2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene
SMILESCC12c3ccccc3[Si]1(c1ccccc1)c1cnc3c4ccccc4c4cccc2c4n13
InChIInChI=1S/C29H20N2Si/c1-29-23-15-7-8-17-25(23)32(29,19-10-3-2-4-11-19)26-18-30-28-22-13-6-5-12-20(22)21-14-9-16-24(29)27(21)31(26)28/h2-18H,1H3
InChIKeyCURRDNJIXVYDLU-UHFFFAOYSA-N
XLogP4.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.28
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-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene?
The IUPAC name of 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene (CID 123882658) is 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene.
What is the SMILES notation for 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene?
The canonical SMILES for 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene is CC12c3ccccc3[Si]1(c1ccccc1)c1cnc3c4ccccc4c4cccc2c4n13.
What is the InChIKey of 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene?
The InChIKey is CURRDNJIXVYDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2Si/c1-29-23-15-7-8-17-25(23)32(29,19-10-3-2-4-11-19)26-18-30-28-22-13-6-5-12-20(22)21-14-9-16-24(29)27(21)31(26)28/h2-18H,1H3.
What are the key properties of 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene?
2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene has a molecular weight of 424.58 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-phenyl-12,25-diaza-9-silaheptacyclo[11.10.2.02,9.03,8.010,25.014,19.020,24]pentacosa-1(23),3,5,7,10,12,14,16,18,20(24),21-undecaene is sourced from PubChem (CID 123882658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).