8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene

C98H54N4 — CID 139323460

About 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene

8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene (PubChem CID 139323460) has the molecular formula C98H54N4 and a molecular weight of 1287.54 g/mol. Its IUPAC name is 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene.

Molecular Properties

• Compound Name: 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene
• PubChem CID: 139323460
• Molecular Formula: C98H54N4
• Molecular Weight: 1287.54 g/mol
• Exact Mass: 1286.43
• IUPAC Name: 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2cc3c(c5cccc6c7c(-c8ccc9c(c8)-c8ccc%10c%11cc%12c(c%13cccc%14c%15ccccc%15n%12c%14%13)c%12c%13ccccc%13n(c%10c8C9(c8ccccc8)c8ccccc8)c%11%12)cccc7n3c65)c3c5ccccc5n4c23)cc1
• InChI: InChI=1S/C98H54N4/c1-5-24-56(25-6-1)97(57-26-7-2-8-27-57)76-41-17-13-32-61(76)72-52-83-73(51-78(72)97)75-54-85-88(89-66-34-15-19-43-80(66)99(83)94(75)89)70-40-22-38-68-86-60(36-23-45-82(86)101(85)93(68)70)55-46-49-77-71(50-55)63-47-48-65-74-53-84-87(69-39-21-37-64-62-33-14-18-42-79(62)100(84)92(64)69)90-67-35-16-20-44-81(67)102(95(74)90)96(65)91(63)98(77,58-28-9-3-10-29-58)59-30-11-4-12-31-59/h1-54H
• InChIKey: BUISKMYJECOUPW-UHFFFAOYSA-N
• XLogP: 24.68
• TPSA: 17.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1287.54
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

The IUPAC name of 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene (CID 139323460) is 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene.

What is the SMILES notation for 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

The canonical SMILES for 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2cc3c(c5cccc6c7c(-c8ccc9c(c8)-c8ccc%10c%11cc%12c(c%13cccc%14c%15ccccc%15n%12c%14%13)c%12c%13ccccc%13n(c%10c8C9(c8ccccc8)c8ccccc8)c%11%12)cccc7n3c65)c3c5ccccc5n4c23)cc1.

What is the InChIKey of 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

The InChIKey is BUISKMYJECOUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H54N4/c1-5-24-56(25-6-1)97(57-26-7-2-8-27-57)76-41-17-13-32-61(76)72-52-83-73(51-78(72)97)75-54-85-88(89-66-34-15-19-43-80(66)99(83)94(75)89)70-40-22-38-68-86-60(36-23-45-82(86)101(85)93(68)70)55-46-49-77-71(50-55)63-47-48-65-74-53-84-87(69-39-21-37-64-62-33-14-18-42-79(62)100(84)92(64)69)90-67-35-16-20-44-81(67)102(95(74)90)96(65)91(63)98(77,58-28-9-3-10-29-58)59-30-11-4-12-31-59/h1-54H.

What are the key properties of 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene has a molecular weight of 1287.54 g/mol, XLogP of 24.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5,5-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.04,12.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2,4(12),6,8,10,13,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaen-30-yl)-12,12-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.05,13.06,11.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3,5(13),6(11),7,9,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene is sourced from PubChem (CID 139323460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).