6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene

C91H64N4 — CID 134370605

About 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene

6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene (PubChem CID 134370605) has the molecular formula C91H64N4 and a molecular weight of 1213.54 g/mol. Its IUPAC name is 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene.

Molecular Properties

• Compound Name: 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene
• PubChem CID: 134370605
• Molecular Formula: C91H64N4
• Molecular Weight: 1213.54 g/mol
• Exact Mass: 1212.51
• IUPAC Name: 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene
• SMILES: CN1c2ccc(cc2)-c2ccc(cc2)-c2ccc(cc2)N(c2ccccc2)c2ccc(cc2)-c2ccc(cc2)-c2ccc3c(c2)c2cc(ccc2n3-c2ccccc2)-c2ccc(cc2)-c2ccc(cc2)N(c2ccccc2)c2ccc(cc2)-c2ccc(cc2)-c2ccc1cc2
• InChI: InChI=1S/C91H64N4/c1-92-79-47-33-69(34-48-79)63-17-21-65(22-18-63)71-37-51-84(52-38-71)93(81-11-5-2-6-12-81)86-55-41-73(42-56-86)67-25-29-75(30-26-67)77-45-59-90-88(61-77)89-62-78(46-60-91(89)95(90)83-15-9-4-10-16-83)76-31-27-68(28-32-76)74-43-57-87(58-44-74)94(82-13-7-3-8-14-82)85-53-39-72(40-54-85)66-23-19-64(20-24-66)70-35-49-80(92)50-36-70/h2-62H,1H3
• InChIKey: VWAQUENEBXNCGV-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.54
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene?

The IUPAC name of 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene (CID 134370605) is 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene.

What is the SMILES notation for 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene?

The canonical SMILES for 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene is CN1c2ccc(cc2)-c2ccc(cc2)-c2ccc(cc2)N(c2ccccc2)c2ccc(cc2)-c2ccc(cc2)-c2ccc3c(c2)c2cc(ccc2n3-c2ccccc2)-c2ccc(cc2)-c2ccc(cc2)N(c2ccccc2)c2ccc(cc2)-c2ccc(cc2)-c2ccc1cc2.

What is the InChIKey of 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene?

The InChIKey is VWAQUENEBXNCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H64N4/c1-92-79-47-33-69(34-48-79)63-17-21-65(22-18-63)71-37-51-84(52-38-71)93(81-11-5-2-6-12-81)86-55-41-73(42-56-86)67-25-29-75(30-26-67)77-45-59-90-88(61-77)89-62-78(46-60-91(89)95(90)83-15-9-4-10-16-83)76-31-27-68(28-32-76)74-43-57-87(58-44-74)94(82-13-7-3-8-14-82)85-53-39-72(40-54-85)66-23-19-64(20-24-66)70-35-49-80(92)50-36-70/h2-62H,1H3.

What are the key properties of 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene?

6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene has a molecular weight of 1213.54 g/mol, XLogP of 25.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene is sourced from PubChem (CID 134370605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).