14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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

C64H59N3O — CID 138745392

About 14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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-tert-butyldibenzofuran-4-yl)-N-phenyl-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 138745392) has the molecular formula C64H59N3O and a molecular weight of 886.20 g/mol. Its IUPAC name is 14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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-tert-butyldibenzofuran-4-yl)-N-phenyl-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: 138745392
• Molecular Formula: C64H59N3O
• Molecular Weight: 886.20 g/mol
• Exact Mass: 885.47
• IUPAC Name: 14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3ccc(N(c4ccccc4)c4cccc6c4oc4c(C(C)(C)C)cccc46)cc3n5c21
• InChI: InChI=1S/C64H59N3O/c1-61(2,3)36-24-27-52-44(28-36)48-30-38(63(7,8)9)32-50-45-35-56-46(34-55(45)66(52)58(48)50)49-31-37(62(4,5)6)29-47-41-26-25-40(33-54(41)67(56)57(47)49)65(39-18-14-13-15-19-39)53-23-17-21-43-42-20-16-22-51(64(10,11)12)59(42)68-60(43)53/h13-35H,1-12H3
• InChIKey: FFAVBXWMYVMNMJ-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 25.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.20
LogP ≤ 5	18.55
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-tert-butyldibenzofuran-4-yl)-N-phenyl-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-tert-butyldibenzofuran-4-yl)-N-phenyl-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 138745392) is 14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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-tert-butyldibenzofuran-4-yl)-N-phenyl-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-tert-butyldibenzofuran-4-yl)-N-phenyl-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)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3ccc(N(c4ccccc4)c4cccc6c4oc4c(C(C)(C)C)cccc46)cc3n5c21.

What is the InChIKey of 14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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 FFAVBXWMYVMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H59N3O/c1-61(2,3)36-24-27-52-44(28-36)48-30-38(63(7,8)9)32-50-45-35-56-46(34-55(45)66(52)58(48)50)49-31-37(62(4,5)6)29-47-41-26-25-40(33-54(41)67(56)57(47)49)65(39-18-14-13-15-19-39)53-23-17-21-43-42-20-16-22-51(64(10,11)12)59(42)68-60(43)53/h13-35H,1-12H3.

What are the key properties of 14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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-tert-butyldibenzofuran-4-yl)-N-phenyl-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 886.20 g/mol, XLogP of 18.55, 3 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-tert-butyldibenzofuran-4-yl)-N-phenyl-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 138745392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).