hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene

C90H60 — CID 123382186

About hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene

hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene (PubChem CID 123382186) has the molecular formula C90H60 and a molecular weight of 1141.47 g/mol. Its IUPAC name is hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene.

Molecular Properties

• Compound Name: hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
• PubChem CID: 123382186
• Molecular Formula: C90H60
• Molecular Weight: 1141.47 g/mol
• Exact Mass: 1140.47
• IUPAC Name: hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
• SMILES: c1cc2ccc1-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2cc1
• InChI: InChI=1S/C90H60/c1-2-62-4-3-61(1)63-5-7-65(8-6-63)67-13-15-69(16-14-67)71-21-23-73(24-22-71)75-29-31-77(32-30-75)79-37-39-81(40-38-79)83-45-47-85(48-46-83)87-53-55-89(56-54-87)90-59-57-88(58-60-90)86-51-49-84(50-52-86)82-43-41-80(42-44-82)78-35-33-76(34-36-78)74-27-25-72(26-28-74)70-19-17-68(18-20-70)66-11-9-64(62)10-12-66/h1-60H/b63-61-,64-62-,67-65-,68-66-,71-69-,72-70-,75-73-,76-74-,79-77-,80-78-,83-81-,84-82-,87-85-,88-86-,90-89-
• InChIKey: ZZLIJJIFVHJMHH-SHAAMCNESA-N
• XLogP: 25.00
• TPSA: 0.00 Ų
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.47
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene?

The IUPAC name of hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene (CID 123382186) is hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene.

What is the SMILES notation for hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene?

The canonical SMILES for hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene is c1cc2ccc1-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2cc1.

What is the InChIKey of hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene?

The InChIKey is ZZLIJJIFVHJMHH-SHAAMCNESA-N. The full InChI is InChI=1S/C90H60/c1-2-62-4-3-61(1)63-5-7-65(8-6-63)67-13-15-69(16-14-67)71-21-23-73(24-22-71)75-29-31-77(32-30-75)79-37-39-81(40-38-79)83-45-47-85(48-46-83)87-53-55-89(56-54-87)90-59-57-88(58-60-90)86-51-49-84(50-52-86)82-43-41-80(42-44-82)78-35-33-76(34-36-78)74-27-25-72(26-28-74)70-19-17-68(18-20-70)66-11-9-64(62)10-12-66/h1-60H/b63-61-,64-62-,67-65-,68-66-,71-69-,72-70-,75-73-,76-74-,79-77-,80-78-,83-81-,84-82-,87-85-,88-86-,90-89-.

What are the key properties of hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene?

hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene has a molecular weight of 1141.47 g/mol, XLogP of 25.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene is sourced from PubChem (CID 123382186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).