9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine

C54H34N4 — CID 164841452

About 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine

9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine (PubChem CID 164841452) has the molecular formula C54H34N4 and a molecular weight of 742.92 g/mol. Its IUPAC name is 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine.

Molecular Properties

• Compound Name: 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
• PubChem CID: 164841452
• Molecular Formula: C54H34N4
• Molecular Weight: 742.92 g/mol
• Exact Mass: 742.30
• IUPAC Name: 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
• SMILES: [2H]c1ccc(N(c2ccc([2H])cc2)c2ccc3c(c2)c2cccc4c5cc6c(cc5n3c24)c2cccc3c4cc(N(c5ccc([2H])cc5)c5ccc([2H])cc5)ccc4n6c32)cc1
• InChI: InChI=1S/C54H34N4/c1-5-15-35(16-6-1)55(36-17-7-2-8-18-36)39-27-29-49-45(31-39)41-23-13-25-43-47-34-52-48(33-51(47)57(49)53(41)43)44-26-14-24-42-46-32-40(28-30-50(46)58(52)54(42)44)56(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-34H/i1D,2D,3D,4D
• InChIKey: HWZWJPWOOXRCFF-RHQRLBAQSA-N
• XLogP: 14.93
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.92
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

The IUPAC name of 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine (CID 164841452) is 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine.

What is the SMILES notation for 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

The canonical SMILES for 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine is [2H]c1ccc(N(c2ccc([2H])cc2)c2ccc3c(c2)c2cccc4c5cc6c(cc5n3c24)c2cccc3c4cc(N(c5ccc([2H])cc5)c5ccc([2H])cc5)ccc4n6c32)cc1.

What is the InChIKey of 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

The InChIKey is HWZWJPWOOXRCFF-RHQRLBAQSA-N. The full InChI is InChI=1S/C54H34N4/c1-5-15-35(16-6-1)55(36-17-7-2-8-18-36)39-27-29-49-45(31-39)41-23-13-25-43-47-34-52-48(33-51(47)57(49)53(41)43)44-26-14-24-42-46-32-40(28-30-50(46)58(52)54(42)44)56(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-34H/i1D,2D,3D,4D.

What are the key properties of 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine has a molecular weight of 742.92 g/mol, XLogP of 14.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine is sourced from PubChem (CID 164841452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).