N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine

C63H43NO — CID 148689011

About N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine (PubChem CID 148689011) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine
• PubChem CID: 148689011
• Molecular Formula: C63H43NO
• Molecular Weight: 830.04 g/mol
• Exact Mass: 829.33
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4cccc5c4c3C53c4ccccc4-c4ccccc4Cc4ccccc4-c4ccccc43)c3cccc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C63H43NO/c1-62(2)51-27-11-7-24-47(51)48-35-34-42(38-55(48)62)64(57-31-16-26-50-49-25-10-14-32-58(49)65-61(50)57)56-36-33-39-19-15-30-54-59(39)60(56)63(54)52-28-12-8-22-45(52)43-20-5-3-17-40(43)37-41-18-4-6-21-44(41)46-23-9-13-29-53(46)63/h3-36,38H,37H2,1-2H3
• InChIKey: NTBVCCHBTJBGPY-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.04
LogP ≤ 5	16.45
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[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine (CID 148689011) is N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4cccc5c4c3C53c4ccccc4-c4ccccc4Cc4ccccc4-c4ccccc43)c3cccc4c3oc3ccccc34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine?

The InChIKey is NTBVCCHBTJBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-62(2)51-27-11-7-24-47(51)48-35-34-42(38-55(48)62)64(57-31-16-26-50-49-25-10-14-32-58(49)65-61(50)57)56-36-33-39-19-15-30-54-59(39)60(56)63(54)52-28-12-8-22-45(52)43-20-5-3-17-40(43)37-41-18-4-6-21-44(41)46-23-9-13-29-53(46)63/h3-36,38H,37H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine?

N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine has a molecular weight of 830.04 g/mol, XLogP of 16.45, 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[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-4'-yldibenzofuran-4-amine is sourced from PubChem (CID 148689011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).