8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine

C52H38N4 — CID 143438485

IUPAC8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c4nc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc(c5nc4c4cccc2c43)c76)cc1
InChIInChI=1S/C52H38N4/c1-31-11-19-35(20-12-31)55(36-21-13-32(2)14-22-36)45-29-27-43-47-39(45)7-5-9-41(47)49-51(43)54-50-42-10-6-8-40-46(30-28-44(48(40)42)52(50)53-49)56(37-23-15-33(3)16-24-37)38-25-17-34(4)18-26-38/h5-30H,1-4H3
InChIKeyAQPJYXNKOSGEIS-UHFFFAOYSA-N
MW718.90 g/mol
LogP14.44
Rot. Bonds6

About 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine

8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine (PubChem CID 143438485) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine.

Molecular Properties

Compound Name8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
PubChem CID143438485
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c4nc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc(c5nc4c4cccc2c43)c76)cc1
InChIInChI=1S/C52H38N4/c1-31-11-19-35(20-12-31)55(36-21-13-32(2)14-22-36)45-29-27-43-47-39(45)7-5-9-41(47)49-51(43)54-50-42-10-6-8-40-46(30-28-44(48(40)42)52(50)53-49)56(37-23-15-33(3)16-24-37)38-25-17-34(4)18-26-38/h5-30H,1-4H3
InChIKeyAQPJYXNKOSGEIS-UHFFFAOYSA-N
XLogP14.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine with MolForge

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Related Compounds

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1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine
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N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
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Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine?
The IUPAC name of 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine (CID 143438485) is 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine.
What is the SMILES notation for 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine?
The canonical SMILES for 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4nc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc(c5nc4c4cccc2c43)c76)cc1.
What is the InChIKey of 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine?
The InChIKey is AQPJYXNKOSGEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-31-11-19-35(20-12-31)55(36-21-13-32(2)14-22-36)45-29-27-43-47-39(45)7-5-9-41(47)49-51(43)54-50-42-10-6-8-40-46(30-28-44(48(40)42)52(50)53-49)56(37-23-15-33(3)16-24-37)38-25-17-34(4)18-26-38/h5-30H,1-4H3.
What are the key properties of 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine?
8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine has a molecular weight of 718.90 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine is sourced from PubChem (CID 143438485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).