N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine

C70H45NO2 — CID 130463031

About N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine (PubChem CID 130463031) has the molecular formula C70H45NO2 and a molecular weight of 932.14 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
• PubChem CID: 130463031
• Molecular Formula: C70H45NO2
• Molecular Weight: 932.14 g/mol
• Exact Mass: 931.35
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4cc5c(cc43)oc3ccccc35)c3cccc4c3Oc3ccccc3-c3ccccc3-4)cc21
• InChI: InChI=1S/C70H45NO2/c1-69(2)58-28-12-7-23-49(58)51-36-34-43(39-62(51)69)71(64-31-17-27-54-46-20-5-4-19-45(46)52-25-10-16-33-66(52)73-68(54)64)42-35-37-61-55(38-42)47-21-6-3-18-44(47)48-22-8-13-29-59(48)70(61)60-30-14-9-24-50(60)56-40-57-53-26-11-15-32-65(53)72-67(57)41-63(56)70/h3-41H,1-2H3
• InChIKey: HFUKFWOJFRKGSV-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.14
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine (CID 130463031) is N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4cc5c(cc43)oc3ccccc35)c3cccc4c3Oc3ccccc3-c3ccccc3-4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The InChIKey is HFUKFWOJFRKGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45NO2/c1-69(2)58-28-12-7-23-49(58)51-36-34-43(39-62(51)69)71(64-31-17-27-54-46-20-5-4-19-45(46)52-25-10-16-33-66(52)73-68(54)64)42-35-37-61-55(38-42)47-21-6-3-18-44(47)48-22-8-13-29-59(48)70(61)60-30-14-9-24-50(60)56-40-57-53-26-11-15-32-65(53)72-67(57)41-63(56)70/h3-41H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine has a molecular weight of 932.14 g/mol, XLogP of 18.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine is sourced from PubChem (CID 130463031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).