decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene

C188H98 — CID 160735686

About decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene

decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene (PubChem CID 160735686) has the molecular formula C188H98 and a molecular weight of 2356.85 g/mol. Its IUPAC name is decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene.

Molecular Properties

• Compound Name: decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene
• PubChem CID: 160735686
• Molecular Formula: C188H98
• Molecular Weight: 2356.85 g/mol
• Exact Mass: 2354.77
• IUPAC Name: decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene
• SMILES: c1cc2cc3cccc4c5cccc6cc7cccc8c(c1)c2c(c34)c(c78)c65.c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c54.c1cc2cccc3c2c(c1)c1c2cc4c(cc2c2c5cccc6cccc(c65)c2c31)c1c2cccc3cccc(c32)c1c1c2cccc3cccc(c32)c41.c1ccc2c(c1)c1cccc3c4cc5c(cc4c4cccc2c4c13)c1cccc2c3ccccc3c3cccc5c3c21.c1ccc2c(c1)c1ccccc1c1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3c3ccccc3c12
• InChI: InChI=1S/C54H26.C42H22.C42H24.C28H14.C22H12/c1-9-27-13-5-21-35-43(27)31(17-1)47-39-25-41-42(26-40(39)48-32-18-2-10-28-14-6-22-36(44(28)32)52(48)51(35)47)50-34-20-4-12-30-16-8-24-38(46(30)34)54(50)53-37-23-7-15-29-11-3-19-33(45(29)37)49(41)53;1-2-10-24-23(9-1)27-13-5-17-31-35-21-37-33-19-7-15-29-25-11-3-4-12-26(25)30-16-8-20-34(42(30)41(29)33)38(37)22-36(35)32-18-6-14-28(24)40(32)39(27)31;1-7-19-31-25(13-1)26-14-2-8-20-32(26)38-37(31)39-33-21-9-3-15-27(33)28-16-5-11-23-35(28)41(39)42-36-24-12-6-18-30(36)29-17-4-10-22-34(29)40(38)42;1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22;1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-26H;1-22H;1-24H;1-14H;1-12H
• InChIKey: RUXMNNIKADSPPI-UHFFFAOYSA-N
• XLogP: 54.14
• TPSA: 0.00 Ų
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2356.85
LogP ≤ 5	54.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene?

The IUPAC name of decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene (CID 160735686) is decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene.

What is the SMILES notation for decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene?

The canonical SMILES for decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene is c1cc2cc3cccc4c5cccc6cc7cccc8c(c1)c2c(c34)c(c78)c65.c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c54.c1cc2cccc3c2c(c1)c1c2cc4c(cc2c2c5cccc6cccc(c65)c2c31)c1c2cccc3cccc(c32)c1c1c2cccc3cccc(c32)c41.c1ccc2c(c1)c1cccc3c4cc5c(cc4c4cccc2c4c13)c1cccc2c3ccccc3c3cccc5c3c21.c1ccc2c(c1)c1ccccc1c1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3c3ccccc3c12.

What is the InChIKey of decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene?

The InChIKey is RUXMNNIKADSPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H26.C42H22.C42H24.C28H14.C22H12/c1-9-27-13-5-21-35-43(27)31(17-1)47-39-25-41-42(26-40(39)48-32-18-2-10-28-14-6-22-36(44(28)32)52(48)51(35)47)50-34-20-4-12-30-16-8-24-38(46(30)34)54(50)53-37-23-7-15-29-11-3-19-33(45(29)37)49(41)53;1-2-10-24-23(9-1)27-13-5-17-31-35-21-37-33-19-7-15-29-25-11-3-4-12-26(25)30-16-8-20-34(42(30)41(29)33)38(37)22-36(35)32-18-6-14-28(24)40(32)39(27)31;1-7-19-31-25(13-1)26-14-2-8-20-32(26)38-37(31)39-33-21-9-3-15-27(33)28-16-5-11-23-35(28)41(39)42-36-24-12-6-18-30(36)29-17-4-10-22-34(29)40(38)42;1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22;1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-26H;1-22H;1-24H;1-14H;1-12H.

What are the key properties of decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene?

decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene has a molecular weight of 2356.85 g/mol, XLogP of 54.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene is sourced from PubChem (CID 160735686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).