8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C70H48N4O2Si — CID 158765686

About 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 158765686) has the molecular formula C70H48N4O2Si and a molecular weight of 1005.27 g/mol. Its IUPAC name is 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 158765686
• Molecular Formula: C70H48N4O2Si
• Molecular Weight: 1005.27 g/mol
• Exact Mass: 1004.35
• IUPAC Name: 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)cc5n8c43)cccc12
• InChI: InChI=1S/C70H48N4O2Si/c1-41-17-11-26-52-53-27-14-30-58(68(53)75-67(41)52)71(42-18-7-5-8-19-42)44-33-35-46-48-22-12-24-50-56-40-63-57(39-62(56)73(65(48)50)60(46)37-44)51-25-13-23-49-47-36-34-45(38-61(47)74(63)66(49)51)72(43-20-9-6-10-21-43)59-31-15-28-54-55-29-16-32-64(77(2,3)4)70(55)76-69(54)59/h5-40H,1-4H3
• InChIKey: IOLGBERYMPVJKC-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.27
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 158765686) is 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)cc5n8c43)cccc12.

What is the InChIKey of 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is IOLGBERYMPVJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N4O2Si/c1-41-17-11-26-52-53-27-14-30-58(68(53)75-67(41)52)71(42-18-7-5-8-19-42)44-33-35-46-48-22-12-24-50-56-40-63-57(39-62(56)73(65(48)50)60(46)37-44)51-25-13-23-49-47-36-34-45(38-61(47)74(63)66(49)51)72(43-20-9-6-10-21-43)59-31-15-28-54-55-29-16-32-64(77(2,3)4)70(55)76-69(54)59/h5-40H,1-4H3.

What are the key properties of 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 1005.27 g/mol, XLogP of 19.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(6-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-23-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 158765686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).