2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine

C71H86N2Si2 — CID 140738112

About 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine

2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine (PubChem CID 140738112) has the molecular formula C71H86N2Si2 and a molecular weight of 1023.65 g/mol. Its IUPAC name is 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine.

Molecular Properties

• Compound Name: 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine
• PubChem CID: 140738112
• Molecular Formula: C71H86N2Si2
• Molecular Weight: 1023.65 g/mol
• Exact Mass: 1022.63
• IUPAC Name: 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine
• SMILES: C[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2cc3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CCCCC5)cc4)cc3cc21
• InChI: InChI=1S/C71H86N2Si2/c1-74(2,3)71(75(4,5)6)69-49-60-47-65(72(61-36-27-55(28-37-61)51-19-11-7-12-20-51)62-38-29-56(30-39-62)52-21-13-8-14-22-52)44-35-59(60)48-68(69)67-46-45-66(50-70(67)71)73(63-40-31-57(32-41-63)53-23-15-9-16-24-53)64-42-33-58(34-43-64)54-25-17-10-18-26-54/h27-54H,7-26H2,1-6H3
• InChIKey: ZGFGPGHLQCKDOD-UHFFFAOYSA-N
• XLogP: 21.99
• 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	1023.65
LogP ≤ 5	21.99
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 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine?

The IUPAC name of 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine (CID 140738112) is 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine.

What is the SMILES notation for 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine?

The canonical SMILES for 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine is C[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2cc3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CCCCC5)cc4)cc3cc21.

What is the InChIKey of 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine?

The InChIKey is ZGFGPGHLQCKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H86N2Si2/c1-74(2,3)71(75(4,5)6)69-49-60-47-65(72(61-36-27-55(28-37-61)51-19-11-7-12-20-51)62-38-29-56(30-39-62)52-21-13-8-14-22-52)44-35-59(60)48-68(69)67-46-45-66(50-70(67)71)73(63-40-31-57(32-41-63)53-23-15-9-16-24-53)64-42-33-58(34-43-64)54-25-17-10-18-26-54/h27-54H,7-26H2,1-6H3.

What are the key properties of 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine?

2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine has a molecular weight of 1023.65 g/mol, XLogP of 21.99, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine is sourced from PubChem (CID 140738112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).