N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine

C63H63NO — CID 139297498

About N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine

N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine (PubChem CID 139297498) has the molecular formula C63H63NO and a molecular weight of 850.20 g/mol. Its IUPAC name is N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine
• PubChem CID: 139297498
• Molecular Formula: C63H63NO
• Molecular Weight: 850.20 g/mol
• Exact Mass: 849.49
• IUPAC Name: N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine
• SMILES: CC1C=CC2=C(C1)C1(C3=CC(N(C4C=C[C@@H]5C6C=CC=CC6C6(c7ccccc7C7CC=CCC76)C5C4)C4CC=CC5=C4C4C=CC=CC4O5)CCC3c3ccccc31)C1=C2CCCC1
• InChI: InChI=1S/C63H63NO/c1-38-29-32-46-43-17-5-11-24-53(43)63(55(46)35-38)54-25-12-6-19-45(54)48-34-31-40(37-57(48)63)64(58-26-14-28-60-61(58)49-20-7-13-27-59(49)65-60)39-30-33-47-44-18-4-10-23-52(44)62(56(47)36-39)50-21-8-2-15-41(50)42-16-3-9-22-51(42)62/h2-4,6-10,12-15,18-21,23,25,27-30,32-33,37-40,42,44,47-49,51-52,56,58-59H,5,11,16-17,22,24,26,31,34-36H2,1H3/t38?,39?,40?,42?,44?,47-,48?,49?,51?,52?,56?,58?,59?,62?,63?/m1/s1
• InChIKey: ACRSNLJXLYBHPV-SVFGZKOWSA-N
• XLogP: 13.85
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.20
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine?

The IUPAC name of N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine (CID 139297498) is N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine.

What is the SMILES notation for N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine?

The canonical SMILES for N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine is CC1C=CC2=C(C1)C1(C3=CC(N(C4C=C[C@@H]5C6C=CC=CC6C6(c7ccccc7C7CC=CCC76)C5C4)C4CC=CC5=C4C4C=CC=CC4O5)CCC3c3ccccc31)C1=C2CCCC1.

What is the InChIKey of N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine?

The InChIKey is ACRSNLJXLYBHPV-SVFGZKOWSA-N. The full InChI is InChI=1S/C63H63NO/c1-38-29-32-46-43-17-5-11-24-53(43)63(55(46)35-38)54-25-12-6-19-45(54)48-34-31-40(37-57(48)63)64(58-26-14-28-60-61(58)49-20-7-13-27-59(49)65-60)39-30-33-47-44-18-4-10-23-52(44)62(56(47)36-39)50-21-8-2-15-41(50)42-16-3-9-22-51(42)62/h2-4,6-10,12-15,18-21,23,25,27-30,32-33,37-40,42,44,47-49,51-52,56,58-59H,5,11,16-17,22,24,26,31,34-36H2,1H3/t38?,39?,40?,42?,44?,47-,48?,49?,51?,52?,56?,58?,59?,62?,63?/m1/s1.

What are the key properties of N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine?

N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine has a molecular weight of 850.20 g/mol, XLogP of 13.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine is sourced from PubChem (CID 139297498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).