12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene

C203H212 — CID 159596249

About 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene

12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene (PubChem CID 159596249) has the molecular formula C203H212 and a molecular weight of 2651.93 g/mol. Its IUPAC name is 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene.

Molecular Properties

• Compound Name: 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene
• PubChem CID: 159596249
• Molecular Formula: C203H212
• Molecular Weight: 2651.93 g/mol
• Exact Mass: 2649.66
• IUPAC Name: 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2c(ccc3ccccc23)-c2ccc3ccccc3c21.CC1(C)c2cc3cc4c(cc3cc2-c2ccc3ccccc3c21)C(C)(C)c1c-4ccc2ccccc12.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2cc3ccccc3cc2-c2ccc3ccccc3c21.Cc1cc2c3c(c1)CCc1cc(C)cc(c1-3)CC2.Cc1cc2c3c(c1)Cc1cc(C)cc(c1-3)C2.Cc1ccc2c(c1)C(C)(C)C1=C2C(C)(C)c2cc(C)ccc21.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(C)ccc1-3
• InChI: InChI=1S/C36H28.C26H26.3C23H18.C22H24.C18H18.C16H14.8C2H6/c1-35(2)31-19-23-18-30-28-16-14-22-10-6-8-12-26(22)34(28)36(3,4)32(30)20-24(23)17-29(31)27-15-13-21-9-5-7-11-25(21)33(27)35;1-15-7-9-17-19-13-24-20(14-23(19)25(3,4)21(17)11-15)18-10-8-16(2)12-22(18)26(24,5)6;1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-23(2)21-17-9-5-3-7-15(17)11-13-19(21)20-14-12-16-8-4-6-10-18(16)22(20)23;1-23(2)21-14-17-9-4-3-8-16(17)13-20(21)19-12-11-15-7-5-6-10-18(15)22(19)23;1-13-7-9-15-17(11-13)21(3,4)20-16-10-8-14(2)12-18(16)22(5,6)19(15)20;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-9-3-11-7-13-5-10(2)6-14-8-12(4-9)15(11)16(13)14;8*1-2/h5-20H,1-4H3;7-14H,1-6H3;3*3-14H,1-2H3;7-12H,1-6H3;7-10H,3-6H2,1-2H3;3-6H,7-8H2,1-2H3;8*1-2H3
• InChIKey: MKWNZYZXSJIYQB-UHFFFAOYSA-N
• XLogP: 57.53
• TPSA: 0.00 Ų
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2651.93
LogP ≤ 5	57.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene?

The IUPAC name of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene (CID 159596249) is 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene.

What is the SMILES notation for 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene?

The canonical SMILES for 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene is CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2c(ccc3ccccc23)-c2ccc3ccccc3c21.CC1(C)c2cc3cc4c(cc3cc2-c2ccc3ccccc3c21)C(C)(C)c1c-4ccc2ccccc12.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2cc3ccccc3cc2-c2ccc3ccccc3c21.Cc1cc2c3c(c1)CCc1cc(C)cc(c1-3)CC2.Cc1cc2c3c(c1)Cc1cc(C)cc(c1-3)C2.Cc1ccc2c(c1)C(C)(C)C1=C2C(C)(C)c2cc(C)ccc21.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(C)ccc1-3.

What is the InChIKey of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene?

The InChIKey is MKWNZYZXSJIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28.C26H26.3C23H18.C22H24.C18H18.C16H14.8C2H6/c1-35(2)31-19-23-18-30-28-16-14-22-10-6-8-12-26(22)34(28)36(3,4)32(30)20-24(23)17-29(31)27-15-13-21-9-5-7-11-25(21)33(27)35;1-15-7-9-17-19-13-24-20(14-23(19)25(3,4)21(17)11-15)18-10-8-16(2)12-22(18)26(24,5)6;1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-23(2)21-17-9-5-3-7-15(17)11-13-19(21)20-14-12-16-8-4-6-10-18(16)22(20)23;1-23(2)21-14-17-9-4-3-8-16(17)13-20(21)19-12-11-15-7-5-6-10-18(15)22(19)23;1-13-7-9-15-17(11-13)21(3,4)20-16-10-8-14(2)12-18(16)22(5,6)19(15)20;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-9-3-11-7-13-5-10(2)6-14-8-12(4-9)15(11)16(13)14;8*1-2/h5-20H,1-4H3;7-14H,1-6H3;3*3-14H,1-2H3;7-12H,1-6H3;7-10H,3-6H2,1-2H3;3-6H,7-8H2,1-2H3;8*1-2H3.

What are the key properties of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene?

12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene has a molecular weight of 2651.93 g/mol, XLogP of 57.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3,9-dimethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;ethane;2,5,5,7,10,10-hexamethylindeno[2,1-a]indene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;14,14,30,30-tetramethyloctacyclo[15.15.0.03,15.04,13.07,12.019,31.020,29.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,20(29),21,23,25,27,31-pentadecaene is sourced from PubChem (CID 159596249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).