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

C71H74N2OSi2 — CID 140764938

About 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-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-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 140764938) has the molecular formula C71H74N2OSi2 and a molecular weight of 1027.56 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-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-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
• PubChem CID: 140764938
• Molecular Formula: C71H74N2OSi2
• Molecular Weight: 1027.56 g/mol
• Exact Mass: 1026.53
• IUPAC Name: 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
• SMILES: Cc1ccc(C2(c3ccc(C)cc3)c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)ccc3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)c2c3oc3ccccc32)cc1
• InChI: InChI=1S/C71H74N2OSi2/c1-47-19-23-51(24-20-47)71(52-25-21-48(2)22-26-52)62-45-57(72(53-31-27-49(28-32-53)69(3,4)5)54-35-40-58(41-36-54)75(9,10)11)39-44-60(62)66-63(71)46-64(67-61-17-15-16-18-65(61)74-68(66)67)73(55-33-29-50(30-34-55)70(6,7)8)56-37-42-59(43-38-56)76(12,13)14/h15-46H,1-14H3
• InChIKey: DIEQNUMAGVTPPA-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.56
LogP ≤ 5	19.19
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-bis(4-methylphenyl)-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-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 140764938) is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-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-bis(4-methylphenyl)-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-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is Cc1ccc(C2(c3ccc(C)cc3)c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)ccc3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)c2c3oc3ccccc32)cc1.

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

The InChIKey is DIEQNUMAGVTPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H74N2OSi2/c1-47-19-23-51(24-20-47)71(52-25-21-48(2)22-26-52)62-45-57(72(53-31-27-49(28-32-53)69(3,4)5)54-35-40-58(41-36-54)75(9,10)11)39-44-60(62)66-63(71)46-64(67-61-17-15-16-18-65(61)74-68(66)67)73(55-33-29-50(30-34-55)70(6,7)8)56-37-42-59(43-38-56)76(12,13)14/h15-46H,1-14H3.

What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-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-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 1027.56 g/mol, XLogP of 19.19, 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-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 140764938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).