11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene

C72H50N6 — CID 170534758

About 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene

11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene (PubChem CID 170534758) has the molecular formula C72H50N6 and a molecular weight of 999.23 g/mol. Its IUPAC name is 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene.

Molecular Properties

• Compound Name: 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene
• PubChem CID: 170534758
• Molecular Formula: C72H50N6
• Molecular Weight: 999.23 g/mol
• Exact Mass: 998.41
• IUPAC Name: 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-n2c3c1cc(-c1ccccc1)cc3c1c3nc(-c4ccccn4)c(-c4ccccn4)nc3c3c4cc(-c5ccccc5)cc5c4n(c3c12)-c1ccc(-c2ccccc2)cc1C5(C)C
• InChI: InChI=1S/C72H50N6/c1-71(2)53-39-47(43-21-9-5-10-22-43)31-33-59(53)77-67-51(37-49(41-55(67)71)45-25-13-7-14-26-45)61-65-66(76-64(58-30-18-20-36-74-58)63(75-65)57-29-17-19-35-73-57)62-52-38-50(46-27-15-8-16-28-46)42-56-68(52)78(70(62)69(61)77)60-34-32-48(40-54(60)72(56,3)4)44-23-11-6-12-24-44/h5-42H,1-4H3
• InChIKey: VNVUYPFOYXAHJI-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.23
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene?

The IUPAC name of 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene (CID 170534758) is 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene.

What is the SMILES notation for 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene?

The canonical SMILES for 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene is CC1(C)c2cc(-c3ccccc3)ccc2-n2c3c1cc(-c1ccccc1)cc3c1c3nc(-c4ccccn4)c(-c4ccccn4)nc3c3c4cc(-c5ccccc5)cc5c4n(c3c12)-c1ccc(-c2ccccc2)cc1C5(C)C.

What is the InChIKey of 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene?

The InChIKey is VNVUYPFOYXAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N6/c1-71(2)53-39-47(43-21-9-5-10-22-43)31-33-59(53)77-67-51(37-49(41-55(67)71)45-25-13-7-14-26-45)61-65-66(76-64(58-30-18-20-36-74-58)63(75-65)57-29-17-19-35-73-57)62-52-38-50(46-27-15-8-16-28-46)42-56-68(52)78(70(62)69(61)77)60-34-32-48(40-54(60)72(56,3)4)44-23-11-6-12-24-44/h5-42H,1-4H3.

What are the key properties of 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene?

11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene has a molecular weight of 999.23 g/mol, XLogP of 17.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11,30,30-tetramethyl-8,14,27,33-tetraphenyl-20,21-dipyridin-2-yl-1,4,19,22-tetrazadecacyclo[23.11.1.14,12.02,24.03,17.05,10.018,23.029,37.031,36.016,38]octatriaconta-2,5(10),6,8,12,14,16(38),17,19,21,23,25(37),26,28,31(36),32,34-heptadecaene is sourced from PubChem (CID 170534758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).