18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene

C33H22N2Si — CID 90069996

IUPAC18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene
SMILESc1ccc([Si]23c4ccccc4-c4ccncc4N2c2c(ccc4ccccc24)-c2ccccc23)cc1
InChIInChI=1S/C33H22N2Si/c1-2-11-24(12-3-1)36-31-16-8-6-14-27(31)26-20-21-34-22-30(26)35(36)33-25-13-5-4-10-23(25)18-19-29(33)28-15-7-9-17-32(28)36/h1-22H
InChIKeyRGCDPKGTRUEFSZ-UHFFFAOYSA-N
MW474.64 g/mol
LogP6.00
Rot. Bonds1

About 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene

18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene (PubChem CID 90069996) has the molecular formula C33H22N2Si and a molecular weight of 474.64 g/mol. Its IUPAC name is 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene.

Molecular Properties

Compound Name18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene
PubChem CID90069996
Molecular FormulaC33H22N2Si
Molecular Weight474.64 g/mol
Exact Mass474.16
IUPAC Name18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene
SMILESc1ccc([Si]23c4ccccc4-c4ccncc4N2c2c(ccc4ccccc24)-c2ccccc23)cc1
InChIInChI=1S/C33H22N2Si/c1-2-11-24(12-3-1)36-31-16-8-6-14-27(31)26-20-21-34-22-30(26)35(36)33-25-13-5-4-10-23(25)18-19-29(33)28-15-7-9-17-32(28)36/h1-22H
InChIKeyRGCDPKGTRUEFSZ-UHFFFAOYSA-N
XLogP6.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene?
The IUPAC name of 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene (CID 90069996) is 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene.
What is the SMILES notation for 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene?
The canonical SMILES for 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene is c1ccc([Si]23c4ccccc4-c4ccncc4N2c2c(ccc4ccccc24)-c2ccccc23)cc1.
What is the InChIKey of 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene?
The InChIKey is RGCDPKGTRUEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2Si/c1-2-11-24(12-3-1)36-31-16-8-6-14-27(31)26-20-21-34-22-30(26)35(36)33-25-13-5-4-10-23(25)18-19-29(33)28-15-7-9-17-32(28)36/h1-22H.
What are the key properties of 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene?
18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene has a molecular weight of 474.64 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-phenyl-1,28-diaza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene is sourced from PubChem (CID 90069996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).