18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene

C60H27Cl3 — CID 11216693

About 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene

18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene (PubChem CID 11216693) has the molecular formula C60H27Cl3 and a molecular weight of 854.24 g/mol. Its IUPAC name is 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene.

Molecular Properties

• Compound Name: 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene
• PubChem CID: 11216693
• Molecular Formula: C60H27Cl3
• Molecular Weight: 854.24 g/mol
• Exact Mass: 852.12
• IUPAC Name: 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene
• SMILES: Clc1cc2c3c(ccc4ccccc43)cc3c2c(c1)c1c2c4cc5ccc6ccccc6c5c5cc(Cl)cc(c54)c2c2c4cc5ccc6ccccc6c5c5cc(Cl)cc(c54)c2c31
• InChI: InChI=1S/C60H27Cl3/c61-34-22-43-49-31(16-13-28-7-1-4-10-37(28)49)19-40-52(43)46(25-34)58-55(40)59-47-26-35(62)23-45-51-33(18-15-30-9-3-6-12-39(30)51)21-42(54(45)47)57(59)60-48-27-36(63)24-44-50-32(20-41(53(44)48)56(58)60)17-14-29-8-2-5-11-38(29)50/h1-27H
• InChIKey: YRCWRIPDZZDRQJ-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 0.00 Ų
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.24
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene?

The IUPAC name of 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene (CID 11216693) is 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene.

What is the SMILES notation for 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene?

The canonical SMILES for 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene is Clc1cc2c3c(ccc4ccccc43)cc3c2c(c1)c1c2c4cc5ccc6ccccc6c5c5cc(Cl)cc(c54)c2c2c4cc5ccc6ccccc6c5c5cc(Cl)cc(c54)c2c31.

What is the InChIKey of 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene?

The InChIKey is YRCWRIPDZZDRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H27Cl3/c61-34-22-43-49-31(16-13-28-7-1-4-10-37(28)49)19-40-52(43)46(25-34)58-55(40)59-47-26-35(62)23-45-51-33(18-15-30-9-3-6-12-39(30)51)21-42(54(45)47)57(59)60-48-27-36(63)24-44-50-32(20-41(53(44)48)56(58)60)17-14-29-8-2-5-11-38(29)50/h1-27H.

What are the key properties of 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene?

18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene has a molecular weight of 854.24 g/mol, XLogP of 19.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 18,37,56-trichlorohexadecacyclo[40.15.1.14,16.123,35.02,41.03,21.06,15.09,14.022,40.025,34.028,33.044,53.047,52.054,58.020,60.039,59]hexaconta-1(57),2,4(60),5,7,9,11,13,15,17,19,21,23(59),24,26,28,30,32,34,36,38,40,42(58),43,45,47,49,51,53,55-triacontaene is sourced from PubChem (CID 11216693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).