2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline

C61H43NO2 — CID 138581234

About 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline

2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline (PubChem CID 138581234) has the molecular formula C61H43NO2 and a molecular weight of 822.02 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
• PubChem CID: 138581234
• Molecular Formula: C61H43NO2
• Molecular Weight: 822.02 g/mol
• Exact Mass: 821.33
• IUPAC Name: 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
• SMILES: C1=CC2=C(CC1)C1(C3=C(C=CCC3)c3cc4c(cc31)Oc1cc(-c3ccccc3N(c3ccc(-c5ccccc5)cc3)c3ccccc3-c3ccccc3)ccc1O4)c1ccccc12
• InChI: InChI=1S/C61H43NO2/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)62(55-29-15-10-21-45(55)42-19-5-2-6-20-42)56-30-16-11-22-46(56)43-33-36-57-58(37-43)64-60-39-54-50(38-59(60)63-57)49-25-9-14-28-53(49)61(54)51-26-12-7-23-47(51)48-24-8-13-27-52(48)61/h1-12,15-26,29-39H,13-14,27-28H2
• InChIKey: DQHMCCJUBPXWII-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.02
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline?

The IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline (CID 138581234) is 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline.

What is the SMILES notation for 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline?

The canonical SMILES for 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline is C1=CC2=C(CC1)C1(C3=C(C=CCC3)c3cc4c(cc31)Oc1cc(-c3ccccc3N(c3ccc(-c5ccccc5)cc3)c3ccccc3-c3ccccc3)ccc1O4)c1ccccc12.

What is the InChIKey of 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline?

The InChIKey is DQHMCCJUBPXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO2/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)62(55-29-15-10-21-45(55)42-19-5-2-6-20-42)56-30-16-11-22-46(56)43-33-36-57-58(37-43)64-60-39-54-50(38-59(60)63-57)49-25-9-14-28-53(49)61(54)51-26-12-7-23-47(51)48-24-8-13-27-52(48)61/h1-12,15-26,29-39H,13-14,27-28H2.

What are the key properties of 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline?

2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline has a molecular weight of 822.02 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline is sourced from PubChem (CID 138581234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).