2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine

C67H57N3Si2 — CID 160679461

About 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine

2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine (PubChem CID 160679461) has the molecular formula C67H57N3Si2 and a molecular weight of 960.39 g/mol. Its IUPAC name is 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine.

Molecular Properties

• Compound Name: 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine
• PubChem CID: 160679461
• Molecular Formula: C67H57N3Si2
• Molecular Weight: 960.39 g/mol
• Exact Mass: 959.41
• IUPAC Name: 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine
• SMILES: C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3c4c(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc5c(c4n(-c4ccccc4)c3c2)-c2ccccc2C52c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C67H57N3Si2/c1-71(2,3)52-32-22-30-49(42-52)68(46-24-10-7-11-25-46)51-40-41-57-62(44-51)70(48-28-14-9-15-29-48)66-64-56-36-18-21-39-60(56)67(58-37-19-16-34-54(58)55-35-17-20-38-59(55)67)61(64)45-63(65(57)66)69(47-26-12-8-13-27-47)50-31-23-33-53(43-50)72(4,5)6/h7-45H,1-6H3
• InChIKey: AOSDEVVKIOWXFX-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.39
LogP ≤ 5	17.16
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 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine?

The IUPAC name of 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine (CID 160679461) is 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine.

What is the SMILES notation for 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine?

The canonical SMILES for 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine is C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3c4c(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc5c(c4n(-c4ccccc4)c3c2)-c2ccccc2C52c3ccccc3-c3ccccc32)c1.

What is the InChIKey of 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine?

The InChIKey is AOSDEVVKIOWXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N3Si2/c1-71(2,3)52-32-22-30-49(42-52)68(46-24-10-7-11-25-46)51-40-41-57-62(44-51)70(48-28-14-9-15-29-48)66-64-56-36-18-21-39-60(56)67(58-37-19-16-34-54(58)55-35-17-20-38-59(55)67)61(64)45-63(65(57)66)69(47-26-12-8-13-27-47)50-31-23-33-53(43-50)72(4,5)6/h7-45H,1-6H3.

What are the key properties of 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine?

2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine has a molecular weight of 960.39 g/mol, XLogP of 17.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine is sourced from PubChem (CID 160679461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).