5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C218H174N6O6Si2 — CID 158643085

About 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 158643085) has the molecular formula C218H174N6O6Si2 and a molecular weight of 3030.00 g/mol. Its IUPAC name is 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 158643085
• Molecular Formula: C218H174N6O6Si2
• Molecular Weight: 3030.00 g/mol
• Exact Mass: 3027.30
• IUPAC Name: 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: Cc1c2c3c(cccc3c3cc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)ccc13)C(C)(C)c1cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5oc6ccccc6c5c4)ccc13)C(C)(C)c1cc(N(c3ccc(C(C)(C)C)cc3)c3ccc4oc5ccccc5c4c3)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4ccc5oc6ccccc6c5c4)ccc13)C(C)(C)c1cc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4oc5ccccc5c4c3)ccc1-2
• InChI: InChI=1S/C84H58N2O2.C68H58N2O2.C66H58N2O2Si2/c1-53-68-39-35-62(85(63-37-41-80-74(50-63)69-29-16-18-33-78(69)87-80)66-45-58(54-21-8-4-9-22-54)43-59(46-66)55-23-10-5-11-24-55)49-73(68)71-31-20-32-76-83(71)82(53)72-40-36-65(52-77(72)84(76,2)3)86(64-38-42-81-75(51-64)70-30-17-19-34-79(70)88-81)67-47-60(56-25-12-6-13-26-56)44-61(48-67)57-27-14-7-15-28-57;1-41-50-33-29-46(69(44-25-21-42(22-26-44)66(2,3)4)47-31-35-62-56(38-47)51-15-10-12-19-60(51)71-62)37-55(50)53-17-14-18-58-65(53)64(41)54-34-30-49(40-59(54)68(58,8)9)70(45-27-23-43(24-28-45)67(5,6)7)48-32-36-63-57(39-48)52-16-11-13-20-61(52)72-63;1-41-50-33-25-44(67(42-21-29-48(30-22-42)71(4,5)6)45-27-35-62-56(38-45)51-15-10-12-19-60(51)69-62)37-55(50)53-17-14-18-58-65(53)64(41)54-34-26-47(40-59(54)66(58,2)3)68(43-23-31-49(32-24-43)72(7,8)9)46-28-36-63-57(39-46)52-16-11-13-20-61(52)70-63/h4-52H,1-3H3;2*10-40H,1-9H3
• InChIKey: IAPYWMFKZNAJCU-UHFFFAOYSA-N
• XLogP: 62.39
• TPSA: 98.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3030.00
LogP ≤ 5	62.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 158643085) is 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is Cc1c2c3c(cccc3c3cc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)ccc13)C(C)(C)c1cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5oc6ccccc6c5c4)ccc13)C(C)(C)c1cc(N(c3ccc(C(C)(C)C)cc3)c3ccc4oc5ccccc5c4c3)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4ccc5oc6ccccc6c5c4)ccc13)C(C)(C)c1cc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4oc5ccccc5c4c3)ccc1-2.

What is the InChIKey of 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is IAPYWMFKZNAJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N2O2.C68H58N2O2.C66H58N2O2Si2/c1-53-68-39-35-62(85(63-37-41-80-74(50-63)69-29-16-18-33-78(69)87-80)66-45-58(54-21-8-4-9-22-54)43-59(46-66)55-23-10-5-11-24-55)49-73(68)71-31-20-32-76-83(71)82(53)72-40-36-65(52-77(72)84(76,2)3)86(64-38-42-81-75(51-64)70-30-17-19-34-79(70)88-81)67-47-60(56-25-12-6-13-26-56)44-61(48-67)57-27-14-7-15-28-57;1-41-50-33-29-46(69(44-25-21-42(22-26-44)66(2,3)4)47-31-35-62-56(38-47)51-15-10-12-19-60(51)71-62)37-55(50)53-17-14-18-58-65(53)64(41)54-34-30-49(40-59(54)68(58,8)9)70(45-27-23-43(24-28-45)67(5,6)7)48-32-36-63-57(39-48)52-16-11-13-20-61(52)72-63;1-41-50-33-25-44(67(42-21-29-48(30-22-42)71(4,5)6)45-27-35-62-56(38-45)51-15-10-12-19-60(51)69-62)37-55(50)53-17-14-18-58-65(53)64(41)54-34-26-47(40-59(54)66(58,2)3)68(43-23-31-49(32-24-43)72(7,8)9)46-28-36-63-57(39-46)52-16-11-13-20-61(52)70-63/h4-52H,1-3H3;2*10-40H,1-9H3.

What are the key properties of 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 3030.00 g/mol, XLogP of 62.39, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8,20-trimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-2-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 158643085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).