8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C45H30N4Si2 — CID 58389790

IUPAC8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc([Si]2(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6cccnc6-c6ncccc65)ccc3C4)c3cccnc3-c3ncccc32)cc1
InChIInChI=1S/C45H30N4Si2/c1-3-11-32(12-4-1)50(38-15-7-23-46-42(38)43-39(50)16-8-24-47-43)34-21-19-30-27-31-20-22-35(29-37(31)36(30)28-34)51(33-13-5-2-6-14-33)40-17-9-25-48-44(40)45-41(51)18-10-26-49-45/h1-26,28-29H,27H2
InChIKeyDXOJNJBHEBERRC-UHFFFAOYSA-N
MW682.94 g/mol
LogP3.55
Rot. Bonds4

About 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58389790) has the molecular formula C45H30N4Si2 and a molecular weight of 682.94 g/mol. Its IUPAC name is 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58389790
Molecular FormulaC45H30N4Si2
Molecular Weight682.94 g/mol
Exact Mass682.20
IUPAC Name8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc([Si]2(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6cccnc6-c6ncccc65)ccc3C4)c3cccnc3-c3ncccc32)cc1
InChIInChI=1S/C45H30N4Si2/c1-3-11-32(12-4-1)50(38-15-7-23-46-42(38)43-39(50)16-8-24-47-43)34-21-19-30-27-31-20-22-35(29-37(31)36(30)28-34)51(33-13-5-2-6-14-33)40-17-9-25-48-44(40)45-41(51)18-10-26-49-45/h1-26,28-29H,27H2
InChIKeyDXOJNJBHEBERRC-UHFFFAOYSA-N
XLogP3.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.94
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58389790) is 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc([Si]2(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6cccnc6-c6ncccc65)ccc3C4)c3cccnc3-c3ncccc32)cc1.
What is the InChIKey of 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is DXOJNJBHEBERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4Si2/c1-3-11-32(12-4-1)50(38-15-7-23-46-42(38)43-39(50)16-8-24-47-43)34-21-19-30-27-31-20-22-35(29-37(31)36(30)28-34)51(33-13-5-2-6-14-33)40-17-9-25-48-44(40)45-41(51)18-10-26-49-45/h1-26,28-29H,27H2.
What are the key properties of 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 682.94 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58389790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).