6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine

C110H64N2O2 — CID 137493794

About 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine

6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine (PubChem CID 137493794) has the molecular formula C110H64N2O2 and a molecular weight of 1445.73 g/mol. Its IUPAC name is 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine.

Molecular Properties

• Compound Name: 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine
• PubChem CID: 137493794
• Molecular Formula: C110H64N2O2
• Molecular Weight: 1445.73 g/mol
• Exact Mass: 1444.50
• IUPAC Name: 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine
• SMILES: c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(c3cccc(-c5cccc6c5oc5cccc(N(c7ccccc7)c7ccc8c9c(ccc8c7)-c7c(c8ccccc8c8ccccc78)C97c8ccccc8-c8ccccc87)c56)c3c3ccccc23)C42c3ccccc3-c3ccccc32)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C110H64N2O2/c1-3-26-67(27-4-1)111(71-56-61-98-91(64-71)80-36-17-22-50-97(80)113-98)69-54-59-72-65(62-69)52-58-89-102-83-39-11-10-38-82(83)100-84(41-23-43-87(100)107(102)110(105(72)89)94-47-20-15-34-78(94)79-35-16-21-48-95(79)110)86-42-24-44-90-103-96(49-25-51-99(103)114-108(86)90)112(68-28-5-2-6-29-68)70-55-60-73-66(63-70)53-57-88-101-81-37-9-7-30-74(81)75-31-8-12-40-85(75)106(101)109(104(73)88)92-45-18-13-32-76(92)77-33-14-19-46-93(77)109/h1-64H
• InChIKey: CCXOADCLORIXLV-UHFFFAOYSA-N
• XLogP: 29.70
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1445.73
LogP ≤ 5	29.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine?

The IUPAC name of 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine (CID 137493794) is 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine.

What is the SMILES notation for 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine?

The canonical SMILES for 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine is c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(c3cccc(-c5cccc6c5oc5cccc(N(c7ccccc7)c7ccc8c9c(ccc8c7)-c7c(c8ccccc8c8ccccc78)C97c8ccccc8-c8ccccc87)c56)c3c3ccccc23)C42c3ccccc3-c3ccccc32)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine?

The InChIKey is CCXOADCLORIXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H64N2O2/c1-3-26-67(27-4-1)111(71-56-61-98-91(64-71)80-36-17-22-50-97(80)113-98)69-54-59-72-65(62-69)52-58-89-102-83-39-11-10-38-82(83)100-84(41-23-43-87(100)107(102)110(105(72)89)94-47-20-15-34-78(94)79-35-16-21-48-95(79)110)86-42-24-44-90-103-96(49-25-51-99(103)114-108(86)90)112(68-28-5-2-6-29-68)70-55-60-73-66(63-70)53-57-88-101-81-37-9-7-30-74(81)75-31-8-12-40-85(75)106(101)109(104(73)88)92-45-18-13-32-76(92)77-33-14-19-46-93(77)109/h1-64H.

What are the key properties of 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine?

6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine has a molecular weight of 1445.73 g/mol, XLogP of 29.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine is sourced from PubChem (CID 137493794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).