5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine

C49H50N2Si2 — CID 140738274

About 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine

5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine (PubChem CID 140738274) has the molecular formula C49H50N2Si2 and a molecular weight of 723.13 g/mol. Its IUPAC name is 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
• PubChem CID: 140738274
• Molecular Formula: C49H50N2Si2
• Molecular Weight: 723.13 g/mol
• Exact Mass: 722.35
• IUPAC Name: 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
• SMILES: Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc(N(c4ccccc4)c4cccc(C)c4)c4ccccc4c2-3)c1
• InChI: InChI=1S/C49H50N2Si2/c1-35-19-17-25-39(31-35)50(37-21-11-9-12-22-37)41-29-30-44-45(33-41)49(52(3,4)5,53(6,7)8)46-34-47(42-27-15-16-28-43(42)48(44)46)51(38-23-13-10-14-24-38)40-26-18-20-36(2)32-40/h9-34H,1-8H3
• InChIKey: YMNIDNKYJWETAT-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.13
LogP ≤ 5	14.42
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(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

The IUPAC name of 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine (CID 140738274) is 5-N,9-N-bis(3-methylphenyl)-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(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine is Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc(N(c4ccccc4)c4cccc(C)c4)c4ccccc4c2-3)c1.

What is the InChIKey of 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

The InChIKey is YMNIDNKYJWETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N2Si2/c1-35-19-17-25-39(31-35)50(37-21-11-9-12-22-37)41-29-30-44-45(33-41)49(52(3,4)5,53(6,7)8)46-34-47(42-27-15-16-28-43(42)48(44)46)51(38-23-13-10-14-24-38)40-26-18-20-36(2)32-40/h9-34H,1-8H3.

What are the key properties of 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine?

5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 723.13 g/mol, XLogP of 14.42, 8 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(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 140738274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).