19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

C58H52 — CID 145158287

About 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (PubChem CID 145158287) has the molecular formula C58H52 and a molecular weight of 749.05 g/mol. Its IUPAC name is 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.

Molecular Properties

• Compound Name: 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
• PubChem CID: 145158287
• Molecular Formula: C58H52
• Molecular Weight: 749.05 g/mol
• Exact Mass: 748.41
• IUPAC Name: 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
• SMILES: Cc1cc2c3c4c(cccc14)C(C)(C)c1cc(C4=CC=C(c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)C(C)(C)c5ccc6ccccc6c5-7)C4(C)C)cc(c1-3)C2(C)C
• InChI: InChI=1S/C58H52/c1-31-25-47-53-51-35(31)17-14-18-42(51)56(6,7)48-27-34(28-49(52(48)53)58(47,10)11)41-24-23-40(54(41,2)3)33-19-21-37-38-29-46-39(30-45(38)57(8,9)44(37)26-33)50-36-16-13-12-15-32(36)20-22-43(50)55(46,4)5/h12-30H,1-11H3
• InChIKey: HWINMDBNDKKUHC-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.05
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?

The IUPAC name of 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (CID 145158287) is 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.

What is the SMILES notation for 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?

The canonical SMILES for 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is Cc1cc2c3c4c(cccc14)C(C)(C)c1cc(C4=CC=C(c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)C(C)(C)c5ccc6ccccc6c5-7)C4(C)C)cc(c1-3)C2(C)C.

What is the InChIKey of 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?

The InChIKey is HWINMDBNDKKUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52/c1-31-25-47-53-51-35(31)17-14-18-42(51)56(6,7)48-27-34(28-49(52(48)53)58(47,10)11)41-24-23-40(54(41,2)3)33-19-21-37-38-29-46-39(30-45(38)57(8,9)44(37)26-33)50-36-16-13-12-15-32(36)20-22-43(50)55(46,4)5/h12-30H,1-11H3.

What are the key properties of 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?

19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene has a molecular weight of 749.05 g/mol, XLogP of 15.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[5,5-dimethyl-4-(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)cyclopenta-1,3-dien-1-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is sourced from PubChem (CID 145158287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).