[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane

C48H48N2Si2 — CID 59220657

IUPAC[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane
SMILESC[Si](C)(C)c1c2ccc(N3c4ccccc4CCc4ccccc43)cc2c([Si](C)(C)C)c2ccc(N3c4ccccc4CCc4ccccc43)cc12
InChIInChI=1S/C48H48N2Si2/c1-51(2,3)47-39-29-27-38(50-45-21-13-9-17-35(45)25-26-36-18-10-14-22-46(36)50)32-42(39)48(52(4,5)6)40-30-28-37(31-41(40)47)49-43-19-11-7-15-33(43)23-24-34-16-8-12-20-44(34)49/h7-22,27-32H,23-26H2,1-6H3
InChIKeyPHZAJEZAVFXSBN-UHFFFAOYSA-N
MW709.10 g/mol
LogP12.22
Rot. Bonds4

About [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane

[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane (PubChem CID 59220657) has the molecular formula C48H48N2Si2 and a molecular weight of 709.10 g/mol. Its IUPAC name is [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane.

Molecular Properties

Compound Name[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane
PubChem CID59220657
Molecular FormulaC48H48N2Si2
Molecular Weight709.10 g/mol
Exact Mass708.34
IUPAC Name[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane
SMILESC[Si](C)(C)c1c2ccc(N3c4ccccc4CCc4ccccc43)cc2c([Si](C)(C)C)c2ccc(N3c4ccccc4CCc4ccccc43)cc12
InChIInChI=1S/C48H48N2Si2/c1-51(2,3)47-39-29-27-38(50-45-21-13-9-17-35(45)25-26-36-18-10-14-22-46(36)50)32-42(39)48(52(4,5)6)40-30-28-37(31-41(40)47)49-43-19-11-7-15-33(43)23-24-34-16-8-12-20-44(34)49/h7-22,27-32H,23-26H2,1-6H3
InChIKeyPHZAJEZAVFXSBN-UHFFFAOYSA-N
XLogP12.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.10
LogP ≤ 512.22
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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane?
The IUPAC name of [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane (CID 59220657) is [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane.
What is the SMILES notation for [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane?
The canonical SMILES for [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane is C[Si](C)(C)c1c2ccc(N3c4ccccc4CCc4ccccc43)cc2c([Si](C)(C)C)c2ccc(N3c4ccccc4CCc4ccccc43)cc12.
What is the InChIKey of [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane?
The InChIKey is PHZAJEZAVFXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N2Si2/c1-51(2,3)47-39-29-27-38(50-45-21-13-9-17-35(45)25-26-36-18-10-14-22-46(36)50)32-42(39)48(52(4,5)6)40-30-28-37(31-41(40)47)49-43-19-11-7-15-33(43)23-24-34-16-8-12-20-44(34)49/h7-22,27-32H,23-26H2,1-6H3.
What are the key properties of [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane?
[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane has a molecular weight of 709.10 g/mol, XLogP of 12.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane is sourced from PubChem (CID 59220657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).