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

C56H52N4 — CID 59181715

IUPAC5-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
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)N(C)c2ccc4c5c(ccc-3c25)-c2ccc(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc2N4C)c1
InChIInChI=1S/C56H52N4/c1-33-19-34(2)24-43(23-33)59(44-25-35(3)20-36(4)26-44)41-11-13-47-49-15-16-50-48-14-12-42(60(45-27-37(5)21-38(6)28-45)46-29-39(7)22-40(8)30-46)32-54(48)58(10)52-18-17-51(55(49)56(50)52)57(9)53(47)31-41/h11-32H,1-10H3
InChIKeyUEYAGCBWPOQNSI-UHFFFAOYSA-N
MW781.06 g/mol
LogP15.74
Rot. Bonds6

About 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

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 (PubChem CID 59181715) has the molecular formula C56H52N4 and a molecular weight of 781.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID59181715
Molecular FormulaC56H52N4
Molecular Weight781.06 g/mol
Exact Mass780.42
IUPAC Name5-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
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)N(C)c2ccc4c5c(ccc-3c25)-c2ccc(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc2N4C)c1
InChIInChI=1S/C56H52N4/c1-33-19-34(2)24-43(23-33)59(44-25-35(3)20-36(4)26-44)41-11-13-47-49-15-16-50-48-14-12-42(60(45-27-37(5)21-38(6)28-45)46-29-39(7)22-40(8)30-46)32-54(48)58(10)52-18-17-51(55(49)56(50)52)57(9)53(47)31-41/h11-32H,1-10H3
InChIKeyUEYAGCBWPOQNSI-UHFFFAOYSA-N
XLogP15.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.06
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
N,N-bis(3,5-dimethylphenyl)-4-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-2-methylphenyl]-3-methylaniline
CID 67816568
5-N,5-N,16-N,16-N-tetrakis(3,5-dimethylphenyl)-8,13-dithiahexacyclo[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 59182459
4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine
CID 132519467
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70893135
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182405
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175
3-methyl-4-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline
CID 20562854
N-(3,5-dimethylphenyl)-N-(4-ethenylphenyl)-3,5-dimethylaniline
CID 69460355
3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 54172091

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)N(C)c2ccc4c5c(ccc-3c25)-c2ccc(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc2N4C)c1.
What is the InChIKey of 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?
The InChIKey is UEYAGCBWPOQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N4/c1-33-19-34(2)24-43(23-33)59(44-25-35(3)20-36(4)26-44)41-11-13-47-49-15-16-50-48-14-12-42(60(45-27-37(5)21-38(6)28-45)46-29-39(7)22-40(8)30-46)32-54(48)58(10)52-18-17-51(55(49)56(50)52)57(9)53(47)31-41/h11-32H,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 781.06 g/mol, XLogP of 15.74, 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(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 is sourced from PubChem (CID 59181715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).