17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene

C56H44Cl2 — CID 138461848

About 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene

17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene (PubChem CID 138461848) has the molecular formula C56H44Cl2 and a molecular weight of 787.87 g/mol. Its IUPAC name is 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene.

Molecular Properties

• Compound Name: 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
• PubChem CID: 138461848
• Molecular Formula: C56H44Cl2
• Molecular Weight: 787.87 g/mol
• Exact Mass: 786.28
• IUPAC Name: 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
• SMILES: CC1(C)c2cc3c(cc2-c2cc4ccccc4cc21)C(C)(CCC1(C)c2cc4c(cc2-c2ccc5ccccc5c21)C(C)(C)c1cccc(Cl)c1-4)c1cccc(Cl)c1-3
• InChI: InChI=1S/C56H44Cl2/c1-53(2)41-17-11-19-48(57)50(41)39-30-46-37(27-45(39)53)35-22-21-31-13-9-10-16-34(31)52(35)56(46,6)24-23-55(5)42-18-12-20-49(58)51(42)40-29-44-38(28-47(40)55)36-25-32-14-7-8-15-33(32)26-43(36)54(44,3)4/h7-22,25-30H,23-24H2,1-6H3
• InChIKey: SKBVDVQSDQFMHS-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.87
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?

The IUPAC name of 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene (CID 138461848) is 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene.

What is the SMILES notation for 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?

The canonical SMILES for 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene is CC1(C)c2cc3c(cc2-c2cc4ccccc4cc21)C(C)(CCC1(C)c2cc4c(cc2-c2ccc5ccccc5c21)C(C)(C)c1cccc(Cl)c1-4)c1cccc(Cl)c1-3.

What is the InChIKey of 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?

The InChIKey is SKBVDVQSDQFMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44Cl2/c1-53(2)41-17-11-19-48(57)50(41)39-30-46-37(27-45(39)53)35-22-21-31-13-9-10-16-34(31)52(35)56(46,6)24-23-55(5)42-18-12-20-49(58)51(42)40-29-44-38(28-47(40)55)36-25-32-14-7-8-15-33(32)26-43(36)54(44,3)4/h7-22,25-30H,23-24H2,1-6H3.

What are the key properties of 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?

17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene has a molecular weight of 787.87 g/mol, XLogP of 15.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 138461848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).