10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

C56H38N4 — CID 164841234

About 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (PubChem CID 164841234) has the molecular formula C56H38N4 and a molecular weight of 777.01 g/mol. Its IUPAC name is 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• PubChem CID: 164841234
• Molecular Formula: C56H38N4
• Molecular Weight: 777.01 g/mol
• Exact Mass: 776.37
• IUPAC Name: 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• SMILES: [2H]c1c([2H])c([2H])c(N(c2cccc(C)c2)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5cccc(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])cccc4n6c23)c([2H])c1[2H]
• InChI: InChI=1S/C56H38N4/c1-35-15-9-21-39(31-35)57(37-17-5-3-6-18-37)47-27-13-29-49-53(47)43-25-11-23-41-45-34-52-46(33-51(45)59(49)55(41)43)42-24-12-26-44-54-48(28-14-30-50(54)60(52)56(42)44)58(38-19-7-4-8-20-38)40-22-10-16-36(2)32-40/h3-34H,1-2H3/i3D,4D,5D,6D,7D,8D,17D,18D,19D,20D
• InChIKey: DZUXRUUITMBGLJ-AVMQJJGISA-N
• XLogP: 15.54
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.01
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The IUPAC name of 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (CID 164841234) is 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

What is the SMILES notation for 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The canonical SMILES for 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is [2H]c1c([2H])c([2H])c(N(c2cccc(C)c2)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5cccc(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])cccc4n6c23)c([2H])c1[2H].

What is the InChIKey of 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The InChIKey is DZUXRUUITMBGLJ-AVMQJJGISA-N. The full InChI is InChI=1S/C56H38N4/c1-35-15-9-21-39(31-35)57(37-17-5-3-6-18-37)47-27-13-29-49-53(47)43-25-11-23-41-45-34-52-46(33-51(45)59(49)55(41)43)42-24-12-26-44-54-48(28-14-30-50(54)60(52)56(42)44)58(38-19-7-4-8-20-38)40-22-10-16-36(2)32-40/h3-34H,1-2H3/i3D,4D,5D,6D,7D,8D,17D,18D,19D,20D.

What are the key properties of 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine has a molecular weight of 777.01 g/mol, XLogP of 15.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-bis(3-methylphenyl)-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is sourced from PubChem (CID 164841234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).