14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine

C64H61N3O — CID 163707912

About 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine

14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine (PubChem CID 163707912) has the molecular formula C64H61N3O and a molecular weight of 888.21 g/mol. Its IUPAC name is 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine.

Molecular Properties

• Compound Name: 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine
• PubChem CID: 163707912
• Molecular Formula: C64H61N3O
• Molecular Weight: 888.21 g/mol
• Exact Mass: 887.48
• IUPAC Name: 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine
• SMILES: CC(C)c1ccc(N(c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)c2cccc3c4c(oc23)C(C)CC=C4)cc1
• InChI: InChI=1S/C64H61N3O/c1-35(2)37-19-22-41(23-20-37)65(54-18-14-17-45-44-16-13-15-36(3)60(44)68-61(45)54)42-24-25-43-49-28-39(63(7,8)9)30-51-48-33-56-47(34-57(48)67(58(49)51)55(43)32-42)52-31-40(64(10,11)12)29-50-46-27-38(62(4,5)6)21-26-53(46)66(56)59(50)52/h13-14,16-36H,15H2,1-12H3
• InChIKey: KGRIQTKOCCBFET-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 25.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.21
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine?

The IUPAC name of 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine (CID 163707912) is 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine.

What is the SMILES notation for 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine?

The canonical SMILES for 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine is CC(C)c1ccc(N(c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)c2cccc3c4c(oc23)C(C)CC=C4)cc1.

What is the InChIKey of 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine?

The InChIKey is KGRIQTKOCCBFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H61N3O/c1-35(2)37-19-22-41(23-20-37)65(54-18-14-17-45-44-16-13-15-36(3)60(44)68-61(45)54)42-24-25-43-49-28-39(63(7,8)9)30-51-48-33-56-47(34-57(48)67(58(49)51)55(43)32-42)52-31-40(64(10,11)12)29-50-46-27-38(62(4,5)6)21-26-53(46)66(56)59(50)52/h13-14,16-36H,15H2,1-12H3.

What are the key properties of 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine?

14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine has a molecular weight of 888.21 g/mol, XLogP of 18.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14,24,29-tritert-butyl-N-(6-methyl-6,7-dihydrodibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-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-pentadecaen-8-amine is sourced from PubChem (CID 163707912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).