N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine

C82H51NO2 — CID 135229539

About N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine

N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine (PubChem CID 135229539) has the molecular formula C82H51NO2 and a molecular weight of 1082.32 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine
• PubChem CID: 135229539
• Molecular Formula: C82H51NO2
• Molecular Weight: 1082.32 g/mol
• Exact Mass: 1081.39
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc32)cc1
• InChI: InChI=1S/C82H51NO2/c1-3-21-56(22-4-1)81(57-23-5-2-6-24-57)69-32-14-11-27-65(69)66-48-47-60(51-74(66)81)83(59-45-39-55(40-46-59)62-31-18-36-76-78(62)68-29-13-16-35-75(68)84-76)58-43-37-54(38-44-58)61-30-17-34-71-77(61)67-28-12-15-33-70(67)82(71)72-49-41-52-19-7-9-25-63(52)79(72)85-80-64-26-10-8-20-53(64)42-50-73(80)82/h1-51H
• InChIKey: YFFZLQVRENHFQQ-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.32
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine (CID 135229539) is N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

The InChIKey is YFFZLQVRENHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H51NO2/c1-3-21-56(22-4-1)81(57-23-5-2-6-24-57)69-32-14-11-27-65(69)66-48-47-60(51-74(66)81)83(59-45-39-55(40-46-59)62-31-18-36-76-78(62)68-29-13-16-35-75(68)84-76)58-43-37-54(38-44-58)61-30-17-34-71-77(61)67-28-12-15-33-70(67)82(71)72-49-41-52-19-7-9-25-63(52)79(72)85-80-64-26-10-8-20-53(64)42-50-73(80)82/h1-51H.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine has a molecular weight of 1082.32 g/mol, XLogP of 21.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 135229539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).