5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine

C51H54N2Si2 — CID 140738193

About 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine

5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine (PubChem CID 140738193) has the molecular formula C51H54N2Si2 and a molecular weight of 751.18 g/mol. Its IUPAC name is 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
• PubChem CID: 140738193
• Molecular Formula: C51H54N2Si2
• Molecular Weight: 751.18 g/mol
• Exact Mass: 750.38
• IUPAC Name: 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
• SMILES: CCc1ccc(N(c2ccccc2)c2ccc3c(c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc(N(c4ccccc4)c4ccc(CC)cc4)c4ccccc4c2-3)cc1
• InChI: InChI=1S/C51H54N2Si2/c1-9-37-25-29-41(30-26-37)52(39-19-13-11-14-20-39)43-33-34-46-47(35-43)51(54(3,4)5,55(6,7)8)48-36-49(44-23-17-18-24-45(44)50(46)48)53(40-21-15-12-16-22-40)42-31-27-38(10-2)28-32-42/h11-36H,9-10H2,1-8H3
• InChIKey: IYKNFNKYLUDMBM-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.18
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

The IUPAC name of 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine (CID 140738193) is 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine is CCc1ccc(N(c2ccccc2)c2ccc3c(c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc(N(c4ccccc4)c4ccc(CC)cc4)c4ccccc4c2-3)cc1.

What is the InChIKey of 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

The InChIKey is IYKNFNKYLUDMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54N2Si2/c1-9-37-25-29-41(30-26-37)52(39-19-13-11-14-20-39)43-33-34-46-47(35-43)51(54(3,4)5,55(6,7)8)48-36-49(44-23-17-18-24-45(44)50(46)48)53(40-21-15-12-16-22-40)42-31-27-38(10-2)28-32-42/h11-36H,9-10H2,1-8H3.

What are the key properties of 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 751.18 g/mol, XLogP of 14.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 140738193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).