14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine

C57H57N3 — CID 163880884

About 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine

14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine (PubChem CID 163880884) has the molecular formula C57H57N3 and a molecular weight of 784.10 g/mol. Its IUPAC name is 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine.

Molecular Properties

• Compound Name: 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine
• PubChem CID: 163880884
• Molecular Formula: C57H57N3
• Molecular Weight: 784.10 g/mol
• Exact Mass: 783.46
• IUPAC Name: 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine
• SMILES: Cc1ccccc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1c2c(c3cc(C(C)(C)C)ccc3n26)=CC(C(C)(C)C)C1C)c1ccccc1C
• InChI: InChI=1S/C57H57N3/c1-32-17-13-15-19-46(32)58(47-20-16-14-18-33(47)2)37-22-23-38-41-26-36(56(7,8)9)27-42-40-30-51-44(31-50(40)60(53(41)42)49(38)28-37)52-34(3)45(57(10,11)12)29-43-39-25-35(55(4,5)6)21-24-48(39)59(51)54(43)52/h13-31,34,45H,1-12H3
• InChIKey: PTCFMVYQQWOONU-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 12.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.10
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine?

The IUPAC name of 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine (CID 163880884) is 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine.

What is the SMILES notation for 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine?

The canonical SMILES for 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine is Cc1ccccc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1c2c(c3cc(C(C)(C)C)ccc3n26)=CC(C(C)(C)C)C1C)c1ccccc1C.

What is the InChIKey of 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine?

The InChIKey is PTCFMVYQQWOONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57N3/c1-32-17-13-15-19-46(32)58(47-20-16-14-18-33(47)2)37-22-23-38-41-26-36(56(7,8)9)27-42-40-30-51-44(31-50(40)60(53(41)42)49(38)28-37)52-34(3)45(57(10,11)12)29-43-39-25-35(55(4,5)6)21-24-48(39)59(51)54(43)52/h13-31,34,45H,1-12H3.

What are the key properties of 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine?

14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine has a molecular weight of 784.10 g/mol, XLogP of 15.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14,24,29-tritert-butyl-30-methyl-N,N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27-tetradecaen-8-amine is sourced from PubChem (CID 163880884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).