methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene

C41H41N13O2 — CID 139092457

About methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene

methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene (PubChem CID 139092457) has the molecular formula C41H41N13O2 and a molecular weight of 747.87 g/mol. Its IUPAC name is methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene.

Molecular Properties

• Compound Name: methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene
• PubChem CID: 139092457
• Molecular Formula: C41H41N13O2
• Molecular Weight: 747.87 g/mol
• Exact Mass: 747.35
• IUPAC Name: methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene
• SMILES: CN1c2cccc(n2)N(C)c2cccc(n2)N2c3cccc(n3)N(C)c3cccc(n3)N(C)c3cccc(n3)N(c3cccc1n3)c1cccc2n1.CO.CO
• InChI: InChI=1S/C39H33N13.2CH4O/c1-47-26-12-5-13-27(40-26)48(2)31-17-8-22-36(43-31)52-37-23-10-19-33(45-37)50(4)29-15-6-14-28(41-29)49(3)32-18-9-21-35(44-32)51(34-20-7-16-30(47)42-34)38-24-11-25-39(52)46-38;2*1-2/h5-25H,1-4H3;2*2H,1H3
• InChIKey: ITCXDPURMQLWHZ-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 150.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.87
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene?

The IUPAC name of methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene (CID 139092457) is methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene.

What is the SMILES notation for methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene?

The canonical SMILES for methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene is CN1c2cccc(n2)N(C)c2cccc(n2)N2c3cccc(n3)N(C)c3cccc(n3)N(C)c3cccc(n3)N(c3cccc1n3)c1cccc2n1.CO.CO.

What is the InChIKey of methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene?

The InChIKey is ITCXDPURMQLWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N13.2CH4O/c1-47-26-12-5-13-27(40-26)48(2)31-17-8-22-36(43-31)52-37-23-10-19-33(45-37)50(4)29-15-6-14-28(41-29)49(3)32-18-9-21-35(44-32)51(34-20-7-16-30(47)42-34)38-24-11-25-39(52)46-38;2*1-2/h5-25H,1-4H3;2*2H,1H3.

What are the key properties of methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene?

methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene has a molecular weight of 747.87 g/mol, XLogP of 7.31, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;7,13,25,31-tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene is sourced from PubChem (CID 139092457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).