5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

C69H70N2OSi2 — CID 140775776

About 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 140775776) has the molecular formula C69H70N2OSi2 and a molecular weight of 999.50 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

• Compound Name: 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
• PubChem CID: 140775776
• Molecular Formula: C69H70N2OSi2
• Molecular Weight: 999.50 g/mol
• Exact Mass: 998.50
• IUPAC Name: 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c(oc5ccccc54)c2-3)cc1
• InChI: InChI=1S/C69H70N2OSi2/c1-67(2,3)47-27-31-51(32-28-47)70(52-35-40-56(41-36-52)73(7,8)9)55-39-44-58-60(45-55)69(49-21-15-13-16-22-49,50-23-17-14-18-24-50)61-46-62(65-59-25-19-20-26-63(59)72-66(65)64(58)61)71(53-33-29-48(30-34-53)68(4,5)6)54-37-42-57(43-38-54)74(10,11)12/h13-46H,1-12H3
• InChIKey: WPOGLSVSYKEJBP-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.50
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?

The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 140775776) is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.

What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?

The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c(oc5ccccc54)c2-3)cc1.

What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?

The InChIKey is WPOGLSVSYKEJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H70N2OSi2/c1-67(2,3)47-27-31-51(32-28-47)70(52-35-40-56(41-36-52)73(7,8)9)55-39-44-58-60(45-55)69(49-21-15-13-16-22-49,50-23-17-14-18-24-50)61-46-62(65-59-25-19-20-26-63(59)72-66(65)64(58)61)71(53-33-29-48(30-34-53)68(4,5)6)54-37-42-57(43-38-54)74(10,11)12/h13-46H,1-12H3.

What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?

5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 999.50 g/mol, XLogP of 18.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 140775776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).