N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine

C65H43NO — CID 130462925

About N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine (PubChem CID 130462925) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine
• PubChem CID: 130462925
• Molecular Formula: C65H43NO
• Molecular Weight: 854.07 g/mol
• Exact Mass: 853.33
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4c3ccc3c4-c4ccccc4C3)c3cccc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C65H43NO/c1-64(2)53-25-11-7-21-47(53)48-33-31-42(38-58(48)64)66(59-28-15-24-50-49-22-10-14-29-60(49)67-63(50)59)41-32-35-56-52(37-41)45-19-6-5-18-44(45)46-20-8-12-26-54(46)65(56)55-27-13-9-23-51(55)62-57(65)34-30-40-36-39-16-3-4-17-43(39)61(40)62/h3-35,37-38H,36H2,1-2H3
• InChIKey: QJELNCAOCXARML-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.07
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine (CID 130462925) is N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4c3ccc3c4-c4ccccc4C3)c3cccc4c3oc3ccccc34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine?

The InChIKey is QJELNCAOCXARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-64(2)53-25-11-7-21-47(53)48-33-31-42(38-58(48)64)66(59-28-15-24-50-49-22-10-14-29-60(49)67-63(50)59)41-32-35-56-52(37-41)45-19-6-5-18-44(45)46-20-8-12-26-54(46)65(56)55-27-13-9-23-51(55)62-57(65)34-30-40-36-39-16-3-4-17-43(39)61(40)62/h3-35,37-38H,36H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine?

N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine has a molecular weight of 854.07 g/mol, XLogP of 16.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine is sourced from PubChem (CID 130462925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).