5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine

C64H68N4 — CID 59181942

IUPAC5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
SMILESCN1c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2ccc3c4c(ccc1c24)N(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)ccc1-3
InChIInChI=1S/C64H68N4/c1-61(2,3)41-15-23-45(24-16-41)67(46-25-17-42(18-26-46)62(4,5)6)49-31-33-51-53-35-36-54-52-34-32-50(40-58(52)66(14)56-38-37-55(59(53)60(54)56)65(13)57(51)39-49)68(47-27-19-43(20-28-47)63(7,8)9)48-29-21-44(22-30-48)64(10,11)12/h15-40H,1-14H3
InChIKeyXXYWDAJTNCVCMR-UHFFFAOYSA-N
MW893.28 g/mol
LogP18.47
Rot. Bonds6

About 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine

5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine (PubChem CID 59181942) has the molecular formula C64H68N4 and a molecular weight of 893.28 g/mol. Its IUPAC name is 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine.

Molecular Properties

Compound Name5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
PubChem CID59181942
Molecular FormulaC64H68N4
Molecular Weight893.28 g/mol
Exact Mass892.54
IUPAC Name5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
SMILESCN1c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2ccc3c4c(ccc1c24)N(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)ccc1-3
InChIInChI=1S/C64H68N4/c1-61(2,3)41-15-23-45(24-16-41)67(46-25-17-42(18-26-46)62(4,5)6)49-31-33-51-53-35-36-54-52-34-32-50(40-58(52)66(14)56-38-37-55(59(53)60(54)56)65(13)57(51)39-49)68(47-27-19-43(20-28-47)63(7,8)9)48-29-21-44(22-30-48)64(10,11)12/h15-40H,1-14H3
InChIKeyXXYWDAJTNCVCMR-UHFFFAOYSA-N
XLogP18.47
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.28
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N,5-N,16-N,16-N-tetrakis(3,5-dimethylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181715
5-N,18-N-bis(4-tert-butylphenyl)-8,21-dimethyl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 59182753
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
12-tert-butyl-5-ethyl-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 67522478
3,5-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenol
CID 171750673
2,6-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]anthracene-9,10-dione
CID 157366555
N,N-bis(4-tert-butylphenyl)-3-iodoaniline
CID 142315159
17-(4-tert-butylphenyl)-N,N-bis(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032564

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
The IUPAC name of 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine (CID 59181942) is 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine.
What is the SMILES notation for 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
The canonical SMILES for 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine is CN1c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2ccc3c4c(ccc1c24)N(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)ccc1-3.
What is the InChIKey of 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
The InChIKey is XXYWDAJTNCVCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N4/c1-61(2,3)41-15-23-45(24-16-41)67(46-25-17-42(18-26-46)62(4,5)6)49-31-33-51-53-35-36-54-52-34-32-50(40-58(52)66(14)56-38-37-55(59(53)60(54)56)65(13)57(51)39-49)68(47-27-19-43(20-28-47)63(7,8)9)48-29-21-44(22-30-48)64(10,11)12/h15-40H,1-14H3.
What are the key properties of 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine?
5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine has a molecular weight of 893.28 g/mol, XLogP of 18.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,16-N,16-N-tetrakis(4-tert-butylphenyl)-8,13-dimethyl-8,13-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine is sourced from PubChem (CID 59181942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).