9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine

C74H74N4 — CID 171449223

About 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine

9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine (PubChem CID 171449223) has the molecular formula C74H74N4 and a molecular weight of 1019.43 g/mol. Its IUPAC name is 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine.

Molecular Properties

• Compound Name: 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine
• PubChem CID: 171449223
• Molecular Formula: C74H74N4
• Molecular Weight: 1019.43 g/mol
• Exact Mass: 1018.59
• IUPAC Name: 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine
• SMILES: Cc1cccc(N(c2cccc(C)c2)c2c3c4cc(C(C)(C)C)cc5c6cc(C(C)(C)C)ccc6n(c3c(N(c3cccc(C)c3)c3cccc(C)c3)c3c6cc(C(C)(C)C)cc7c8cc(C(C)(C)C)ccc8n(c23)c76)c54)c1
• InChI: InChI=1S/C74H74N4/c1-43-21-17-25-51(33-43)75(52-26-18-22-44(2)34-52)67-63-59-41-49(73(11,12)13)39-57-56-38-48(72(8,9)10)30-32-62(56)78(65(57)59)70(63)68(76(53-27-19-23-45(3)35-53)54-28-20-24-46(4)36-54)64-60-42-50(74(14,15)16)40-58-55-37-47(71(5,6)7)29-31-61(55)77(66(58)60)69(64)67/h17-42H,1-16H3
• InChIKey: YHNIWAXEWHXOKA-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.43
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?

The IUPAC name of 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine (CID 171449223) is 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine.

What is the SMILES notation for 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?

The canonical SMILES for 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine is Cc1cccc(N(c2cccc(C)c2)c2c3c4cc(C(C)(C)C)cc5c6cc(C(C)(C)C)ccc6n(c3c(N(c3cccc(C)c3)c3cccc(C)c3)c3c6cc(C(C)(C)C)cc7c8cc(C(C)(C)C)ccc8n(c23)c76)c54)c1.

What is the InChIKey of 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?

The InChIKey is YHNIWAXEWHXOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H74N4/c1-43-21-17-25-51(33-43)75(52-26-18-22-44(2)34-52)67-63-59-41-49(73(11,12)13)39-57-56-38-48(72(8,9)10)30-32-62(56)78(65(57)59)70(63)68(76(53-27-19-23-45(3)35-53)54-28-20-24-46(4)36-54)64-60-42-50(74(14,15)16)40-58-55-37-47(71(5,6)7)29-31-61(55)77(66(58)60)69(64)67/h17-42H,1-16H3.

What are the key properties of 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?

9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine has a molecular weight of 1019.43 g/mol, XLogP of 21.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine is sourced from PubChem (CID 171449223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).