4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C186H124N6O7S2Si2 — CID 160645618

About 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 160645618) has the molecular formula C186H124N6O7S2Si2 and a molecular weight of 2675.38 g/mol. Its IUPAC name is 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• PubChem CID: 160645618
• Molecular Formula: C186H124N6O7S2Si2
• Molecular Weight: 2675.38 g/mol
• Exact Mass: 2672.85
• IUPAC Name: 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccc([Si](C)(C)C)cc3)c3cccc5c3oc3ccccc35)cc42)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc42)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3ccc5sc6ccccc6c5c3)cc42)c2ccc3sc4ccccc4c3c2)cc1
• InChI: InChI=1S/C66H52N2O3Si2.C60H36N2O3.C60H36N2OS2/c1-72(2,3)44-33-28-41(29-34-44)67(57-23-13-21-52-48-18-9-11-25-60(48)70-65(52)57)43-32-37-50-56-39-54-46-16-7-8-17-47(46)59(40-55(54)51-20-15-27-62(64(51)56)69-63(50)38-43)68(42-30-35-45(36-31-42)73(4,5)6)58-24-14-22-53-49-19-10-12-26-61(49)71-66(53)58;1-3-14-37(15-4-1)61(39-27-30-56-50(32-39)44-20-9-11-23-54(44)63-56)41-26-29-46-52-35-48-42-18-7-8-19-43(42)53(36-49(48)47-22-13-25-58(60(47)52)65-59(46)34-41)62(38-16-5-2-6-17-38)40-28-31-57-51(33-40)45-21-10-12-24-55(45)64-57;1-3-14-37(15-4-1)61(39-27-30-58-50(32-39)45-20-9-11-24-56(45)64-58)41-26-29-44-52-35-48-42-18-7-8-19-43(42)53(36-49(48)47-22-13-23-54(60(47)52)63-55(44)34-41)62(38-16-5-2-6-17-38)40-28-31-59-51(33-40)46-21-10-12-25-57(46)65-59/h7-40H,1-6H3;2*1-36H
• InChIKey: RJTAVOJMYSYGMO-UHFFFAOYSA-N
• XLogP: 55.00
• TPSA: 99.69 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2675.38
LogP ≤ 5	55.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The IUPAC name of 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 160645618) is 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

What is the SMILES notation for 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The canonical SMILES for 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is C[Si](C)(C)c1ccc(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccc([Si](C)(C)C)cc3)c3cccc5c3oc3ccccc35)cc42)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc42)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3ccc5sc6ccccc6c5c3)cc42)c2ccc3sc4ccccc4c3c2)cc1.

What is the InChIKey of 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The InChIKey is RJTAVOJMYSYGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2O3Si2.C60H36N2O3.C60H36N2OS2/c1-72(2,3)44-33-28-41(29-34-44)67(57-23-13-21-52-48-18-9-11-25-60(48)70-65(52)57)43-32-37-50-56-39-54-46-16-7-8-17-47(46)59(40-55(54)51-20-15-27-62(64(51)56)69-63(50)38-43)68(42-30-35-45(36-31-42)73(4,5)6)58-24-14-22-53-49-19-10-12-26-61(49)71-66(53)58;1-3-14-37(15-4-1)61(39-27-30-56-50(32-39)44-20-9-11-23-54(44)63-56)41-26-29-46-52-35-48-42-18-7-8-19-43(42)53(36-49(48)47-22-13-25-58(60(47)52)65-59(46)34-41)62(38-16-5-2-6-17-38)40-28-31-57-51(33-40)45-21-10-12-24-55(45)64-57;1-3-14-37(15-4-1)61(39-27-30-58-50(32-39)45-20-9-11-24-56(45)64-58)41-26-29-44-52-35-48-42-18-7-8-19-43(42)53(36-49(48)47-22-13-23-54(60(47)52)63-55(44)34-41)62(38-16-5-2-6-17-38)40-28-31-59-51(33-40)46-21-10-12-25-57(46)65-59/h7-40H,1-6H3;2*1-36H.

What are the key properties of 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 2675.38 g/mol, XLogP of 55.00, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 160645618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).