5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine

C77H66N2Si — CID 143856183

IUPAC5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine
SMILESCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)ccc1c1c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3c21
InChIInChI=1S/C77H66N2Si/c1-53-33-45-66-70(49-53)71-50-60(78(56-23-13-8-14-24-56)58-38-34-54(35-39-58)76(2,3)4)42-46-67(71)75-69-48-44-65(80(62-27-17-10-18-28-62,63-29-19-11-20-30-63)64-31-21-12-22-32-64)52-73(69)72-51-61(43-47-68(72)74(66)75)79(57-25-15-9-16-26-57)59-40-36-55(37-41-59)77(5,6)7/h8-52H,1-7H3
InChIKeyVKGXEYAEYODHOC-UHFFFAOYSA-N
MW1047.47 g/mol
LogP18.67
Rot. Bonds10

About 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine

5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine (PubChem CID 143856183) has the molecular formula C77H66N2Si and a molecular weight of 1047.47 g/mol. Its IUPAC name is 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine.

Molecular Properties

Compound Name5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine
PubChem CID143856183
Molecular FormulaC77H66N2Si
Molecular Weight1047.47 g/mol
Exact Mass1046.50
IUPAC Name5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine
SMILESCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)ccc1c1c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3c21
InChIInChI=1S/C77H66N2Si/c1-53-33-45-66-70(49-53)71-50-60(78(56-23-13-8-14-24-56)58-38-34-54(35-39-58)76(2,3)4)42-46-67(71)75-69-48-44-65(80(62-27-17-10-18-28-62,63-29-19-11-20-30-63)64-31-21-12-22-32-64)52-73(69)72-51-61(43-47-68(72)74(66)75)79(57-25-15-9-16-26-57)59-40-36-55(37-41-59)77(5,6)7/h8-52H,1-7H3
InChIKeyVKGXEYAEYODHOC-UHFFFAOYSA-N
XLogP18.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.47
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine?
The IUPAC name of 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine (CID 143856183) is 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine.
What is the SMILES notation for 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine?
The canonical SMILES for 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine is Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)ccc1c1c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3c21.
What is the InChIKey of 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine?
The InChIKey is VKGXEYAEYODHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H66N2Si/c1-53-33-45-66-70(49-53)71-50-60(78(56-23-13-8-14-24-56)58-38-34-54(35-39-58)76(2,3)4)42-46-67(71)75-69-48-44-65(80(62-27-17-10-18-28-62,63-29-19-11-20-30-63)64-31-21-12-22-32-64)52-73(69)72-51-61(43-47-68(72)74(66)75)79(57-25-15-9-16-26-57)59-40-36-55(37-41-59)77(5,6)7/h8-52H,1-7H3.
What are the key properties of 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine?
5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine has a molecular weight of 1047.47 g/mol, XLogP of 18.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine is sourced from PubChem (CID 143856183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).