7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine

C65H66N2Si2 — CID 140717796

About 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine

7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 140717796) has the molecular formula C65H66N2Si2 and a molecular weight of 931.43 g/mol. Its IUPAC name is 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
• PubChem CID: 140717796
• Molecular Formula: C65H66N2Si2
• Molecular Weight: 931.43 g/mol
• Exact Mass: 930.48
• IUPAC Name: 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
• SMILES: CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c2-3)cc1
• InChI: InChI=1S/C65H66N2Si2/c1-45(2)47-25-29-51(30-26-47)66(52-33-38-56(39-34-52)68(5,6)7)55-37-42-60-61(43-55)65(49-19-13-11-14-20-49,50-21-15-12-16-22-50)62-44-63(58-23-17-18-24-59(58)64(60)62)67(53-31-27-48(28-32-53)46(3)4)54-35-40-57(41-36-54)69(8,9)10/h11-46H,1-10H3
• InChIKey: MGEOXLKMIXIVJW-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.43
LogP ≤ 5	17.48
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 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?

The IUPAC name of 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine (CID 140717796) is 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine is CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c2-3)cc1.

What is the InChIKey of 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?

The InChIKey is MGEOXLKMIXIVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H66N2Si2/c1-45(2)47-25-29-51(30-26-47)66(52-33-38-56(39-34-52)68(5,6)7)55-37-42-60-61(43-55)65(49-19-13-11-14-20-49,50-21-15-12-16-22-50)62-44-63(58-23-17-18-24-59(58)64(60)62)67(53-31-27-48(28-32-53)46(3)4)54-35-40-57(41-36-54)69(8,9)10/h11-46H,1-10H3.

What are the key properties of 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?

7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 931.43 g/mol, XLogP of 17.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 140717796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).