octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene

C202H152 — CID 158999863

About octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene

octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene (PubChem CID 158999863) has the molecular formula C202H152 and a molecular weight of 2579.44 g/mol. Its IUPAC name is octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene.

Molecular Properties

• Compound Name: octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
• PubChem CID: 158999863
• Molecular Formula: C202H152
• Molecular Weight: 2579.44 g/mol
• Exact Mass: 2577.19
• IUPAC Name: octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
• SMILES: CCCCCc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1
• InChI: InChI=1S/C26H24.8C22H16/c1-2-3-4-6-18-9-10-20-17-26-21(16-22(20)15-18)12-14-24-23-8-5-7-19(23)11-13-25(24)26;8*1-14-5-6-16-13-22-17(12-18(16)11-14)8-10-20-19-4-2-3-15(19)7-9-21(20)22/h5,8-17H,2-4,6-7H2,1H3;8*2,4-13H,3H2,1H3
• InChIKey: JRFAUCFIXNSFKC-UHFFFAOYSA-N
• XLogP: 55.64
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2579.44
LogP ≤ 5	55.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene?

The IUPAC name of octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene (CID 158999863) is octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene.

What is the SMILES notation for octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene?

The canonical SMILES for octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene is CCCCCc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.Cc1ccc2cc3c(ccc4c5c(ccc43)CC=C5)cc2c1.

What is the InChIKey of octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene?

The InChIKey is JRFAUCFIXNSFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24.8C22H16/c1-2-3-4-6-18-9-10-20-17-26-21(16-22(20)15-18)12-14-24-23-8-5-7-19(23)11-13-25(24)26;8*1-14-5-6-16-13-22-17(12-18(16)11-14)8-10-20-19-4-2-3-15(19)7-9-21(20)22/h5,8-17H,2-4,6-7H2,1H3;8*2,4-13H,3H2,1H3.

What are the key properties of octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene?

octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene has a molecular weight of 2579.44 g/mol, XLogP of 55.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(17-methylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);17-pentylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene is sourced from PubChem (CID 158999863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).