N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C82H51NO — CID 135229807

About N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 135229807) has the molecular formula C82H51NO and a molecular weight of 1066.32 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 135229807
• Molecular Formula: C82H51NO
• Molecular Weight: 1066.32 g/mol
• Exact Mass: 1065.40
• IUPAC Name: N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
• InChI: InChI=1S/C82H51NO/c1-3-20-52(21-4-1)58-46-59(53-22-5-2-6-23-53)49-62(48-58)83(61-41-43-70-68-33-13-17-36-73(68)81(78(70)51-61)71-34-15-11-30-65(71)66-31-12-16-35-72(66)81)60-27-19-26-56(47-60)57-38-42-69-67-32-14-18-37-74(67)82(77(69)50-57)75-44-39-54-24-7-9-28-63(54)79(75)84-80-64-29-10-8-25-55(64)40-45-76(80)82/h1-51H
• InChIKey: UBDQAUZYWWQRBH-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.32
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 135229807) is N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.

What is the InChIKey of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is UBDQAUZYWWQRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H51NO/c1-3-20-52(21-4-1)58-46-59(53-22-5-2-6-23-53)49-62(48-58)83(61-41-43-70-68-33-13-17-36-73(68)81(78(70)51-61)71-34-15-11-30-65(71)66-31-12-16-35-72(66)81)60-27-19-26-56(47-60)57-38-42-69-67-32-14-18-37-74(67)82(77(69)50-57)75-44-39-54-24-7-9-28-63(54)79(75)84-80-64-29-10-8-25-55(64)40-45-76(80)82/h1-51H.

What are the key properties of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1066.32 g/mol, XLogP of 21.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 135229807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).