7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine

C82H64N2O2Si2 — CID 140873294

About 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine

7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine (PubChem CID 140873294) has the molecular formula C82H64N2O2Si2 and a molecular weight of 1165.60 g/mol. Its IUPAC name is 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine.

Molecular Properties

• Compound Name: 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine
• PubChem CID: 140873294
• Molecular Formula: C82H64N2O2Si2
• Molecular Weight: 1165.60 g/mol
• Exact Mass: 1164.45
• IUPAC Name: 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine
• SMILES: Cc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3cc5c(cc3-4)Cc3ccc4c(oc6c(C)cccc64)c3N5c3ccc([Si](C)(C)C)cc3)cccc12
• InChI: InChI=1S/C82H64N2O2Si2/c1-48-18-15-25-63-65-27-17-29-75(80(65)85-78(48)63)83(52-31-36-55(37-32-52)87(3,4)5)54-35-41-62-69-43-51-42-50-30-40-66-64-26-16-19-49(2)79(64)86-81(66)77(50)84(53-33-38-56(39-34-53)88(6,7)8)76(51)47-74(69)82(72(62)44-54)71-28-14-13-24-61(71)70-45-67-59-22-11-9-20-57(59)58-21-10-12-23-60(58)68(67)46-73(70)82/h9-41,43-47H,42H2,1-8H3
• InChIKey: FCZXFBYKZYQHKJ-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.60
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine?

The IUPAC name of 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine (CID 140873294) is 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine.

What is the SMILES notation for 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine?

The canonical SMILES for 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine is Cc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3cc5c(cc3-4)Cc3ccc4c(oc6c(C)cccc64)c3N5c3ccc([Si](C)(C)C)cc3)cccc12.

What is the InChIKey of 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine?

The InChIKey is FCZXFBYKZYQHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H64N2O2Si2/c1-48-18-15-25-63-65-27-17-29-75(80(65)85-78(48)63)83(52-31-36-55(37-32-52)87(3,4)5)54-35-41-62-69-43-51-42-50-30-40-66-64-26-16-19-49(2)79(64)86-81(66)77(50)84(53-33-38-56(39-34-53)88(6,7)8)76(51)47-74(69)82(72(62)44-54)71-28-14-13-24-61(71)70-45-67-59-22-11-9-20-57(59)58-21-10-12-23-60(58)68(67)46-73(70)82/h9-41,43-47H,42H2,1-8H3.

What are the key properties of 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine?

7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine has a molecular weight of 1165.60 g/mol, XLogP of 21.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine is sourced from PubChem (CID 140873294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).