N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline

C220H137N3O6 — CID 161322711

About N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline

N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline (PubChem CID 161322711) has the molecular formula C220H137N3O6 and a molecular weight of 2918.53 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline
• PubChem CID: 161322711
• Molecular Formula: C220H137N3O6
• Molecular Weight: 2918.53 g/mol
• Exact Mass: 2916.05
• IUPAC Name: N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc32)cc1
• InChI: InChI=1S/C82H51NO2.2C69H43NO2/c1-3-19-58(20-4-1)81(59-21-5-2-6-22-59)71-28-14-11-25-65(71)68-46-43-62(51-76(68)81)83(61-41-33-53(34-42-61)57-36-45-70-69-27-13-16-30-77(69)84-78(70)50-57)60-39-31-52(32-40-60)56-35-44-67-66-26-12-15-29-72(66)82(75(67)49-56)73-47-37-54-17-7-9-23-63(54)79(73)85-80-64-24-10-8-18-55(64)38-48-74(80)82;1-2-13-44(14-3-1)49-17-12-18-54(41-49)70(53-35-27-46(28-36-53)51-30-38-60-59-22-9-11-24-65(59)71-66(60)43-51)52-33-25-45(26-34-52)50-29-37-58-57-21-8-10-23-61(57)69(64(58)42-50)62-39-31-47-15-4-6-19-55(47)67(62)72-68-56-20-7-5-16-48(56)32-40-63(68)69;1-2-12-44(13-3-1)45-22-32-52(33-23-45)70(54-36-26-47(27-37-54)51-29-39-60-59-19-9-11-21-65(59)71-66(60)43-51)53-34-24-46(25-35-53)50-28-38-58-57-18-8-10-20-61(57)69(64(58)42-50)62-40-30-48-14-4-6-16-55(48)67(62)72-68-56-17-7-5-15-49(56)31-41-63(68)69/h1-51H;2*1-43H
• InChIKey: VKIXOXQSGRDGHI-UHFFFAOYSA-N
• XLogP: 59.19
• TPSA: 76.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2918.53
LogP ≤ 5	59.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline?

The IUPAC name of N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline (CID 161322711) is N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline.

What is the SMILES notation for N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline?

The canonical SMILES for N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline?

The InChIKey is VKIXOXQSGRDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H51NO2.2C69H43NO2/c1-3-19-58(20-4-1)81(59-21-5-2-6-22-59)71-28-14-11-25-65(71)68-46-43-62(51-76(68)81)83(61-41-33-53(34-42-61)57-36-45-70-69-27-13-16-30-77(69)84-78(70)50-57)60-39-31-52(32-40-60)56-35-44-67-66-26-12-15-29-72(66)82(75(67)49-56)73-47-37-54-17-7-9-23-63(54)79(73)85-80-64-24-10-8-18-55(64)38-48-74(80)82;1-2-13-44(14-3-1)49-17-12-18-54(41-49)70(53-35-27-46(28-36-53)51-30-38-60-59-22-9-11-24-65(59)71-66(60)43-51)52-33-25-45(26-34-52)50-29-37-58-57-21-8-10-23-61(57)69(64(58)42-50)62-39-31-47-15-4-6-19-55(47)67(62)72-68-56-20-7-5-16-48(56)32-40-63(68)69;1-2-12-44(13-3-1)45-22-32-52(33-23-45)70(54-36-26-47(27-37-54)51-29-39-60-59-19-9-11-21-65(59)71-66(60)43-51)53-34-24-46(25-35-53)50-28-38-58-57-18-8-10-20-61(57)69(64(58)42-50)62-40-30-48-14-4-6-16-55(48)67(62)72-68-56-17-7-5-15-49(56)31-41-63(68)69/h1-51H;2*1-43H.

What are the key properties of N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline?

N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline has a molecular weight of 2918.53 g/mol, XLogP of 59.19, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-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]-2'-ylphenyl)aniline is sourced from PubChem (CID 161322711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).