3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine

C71H62N2Si2 — CID 140738244

About 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine

3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine (PubChem CID 140738244) has the molecular formula C71H62N2Si2 and a molecular weight of 999.46 g/mol. Its IUPAC name is 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine.

Molecular Properties

• Compound Name: 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine
• PubChem CID: 140738244
• Molecular Formula: C71H62N2Si2
• Molecular Weight: 999.46 g/mol
• Exact Mass: 998.45
• IUPAC Name: 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine
• SMILES: C[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2ccc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc3c21
• InChI: InChI=1S/C71H62N2Si2/c1-74(2,3)71(75(4,5)6)67-50-61(73(59-35-23-12-24-36-59)69-46-39-56(52-27-15-8-16-28-52)49-66(69)54-31-19-10-20-32-54)41-44-63(67)64-42-37-57-47-60(40-43-62(57)70(64)71)72(58-33-21-11-22-34-58)68-45-38-55(51-25-13-7-14-26-51)48-65(68)53-29-17-9-18-30-53/h7-50H,1-6H3
• InChIKey: CTMOSNIPMAVSIL-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.46
LogP ≤ 5	20.47
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 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine?

The IUPAC name of 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine (CID 140738244) is 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine.

What is the SMILES notation for 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine?

The canonical SMILES for 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine is C[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2ccc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc3c21.

What is the InChIKey of 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine?

The InChIKey is CTMOSNIPMAVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H62N2Si2/c1-74(2,3)71(75(4,5)6)67-50-61(73(59-35-23-12-24-36-59)69-46-39-56(52-27-15-8-16-28-52)49-66(69)54-31-19-10-20-32-54)41-44-63(67)64-42-37-57-47-60(40-43-62(57)70(64)71)72(58-33-21-11-22-34-58)68-45-38-55(51-25-13-7-14-26-51)48-65(68)53-29-17-9-18-30-53/h7-50H,1-6H3.

What are the key properties of 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine?

3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine has a molecular weight of 999.46 g/mol, XLogP of 20.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine is sourced from PubChem (CID 140738244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).