6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine

C62H39NO — CID 145353357

About 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine

6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine (PubChem CID 145353357) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine.

Molecular Properties

• Compound Name: 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine
• PubChem CID: 145353357
• Molecular Formula: C62H39NO
• Molecular Weight: 814.00 g/mol
• Exact Mass: 813.30
• IUPAC Name: 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine
• SMILES: Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3c-5c4ccccc4c4ccccc34)cccc12
• InChI: InChI=1S/C62H39NO/c1-38-17-5-6-20-43(38)50-27-15-28-51-52-29-16-32-57(61(52)64-60(50)51)63(41-18-3-2-4-19-41)42-34-33-39-36-53-56(37-40(39)35-42)62(54-30-13-11-23-46(54)47-24-12-14-31-55(47)62)59-49-26-10-8-22-45(49)44-21-7-9-25-48(44)58(53)59/h2-37H,1H3
• InChIKey: WATNPBLEIFCDSA-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.00
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine?

The IUPAC name of 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine (CID 145353357) is 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine.

What is the SMILES notation for 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine?

The canonical SMILES for 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine is Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3c-5c4ccccc4c4ccccc34)cccc12.

What is the InChIKey of 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine?

The InChIKey is WATNPBLEIFCDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-38-17-5-6-20-43(38)50-27-15-28-51-52-29-16-32-57(61(52)64-60(50)51)63(41-18-3-2-4-19-41)42-34-33-39-36-53-56(37-40(39)35-42)62(54-30-13-11-23-46(54)47-24-12-14-31-55(47)62)59-49-26-10-8-22-45(49)44-21-7-9-25-48(44)58(53)59/h2-37H,1H3.

What are the key properties of 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine?

6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine has a molecular weight of 814.00 g/mol, XLogP of 16.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine is sourced from PubChem (CID 145353357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).