hexadecacyclo[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

C60H30 — CID 11445613

About hexadecacyclo[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

hexadecacyclo[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 11445613) has the molecular formula C60H30 and a molecular weight of 750.90 g/mol. Its IUPAC name is hexadecacyclo[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: hexadecacyclo[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: 11445613
• Molecular Formula: C60H30
• Molecular Weight: 750.90 g/mol
• Exact Mass: 750.23
• IUPAC Name: hexadecacyclo[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: c1ccc2c(c1)ccc1cc3c4c(cccc4c4c3c3c5cccc6c7c(ccc8ccccc87)cc(c65)c3c3c5cccc6c7c(ccc8ccccc87)cc(c65)c43)c12
• InChI: InChI=1S/C60H30/c1-4-13-37-31(10-1)22-25-34-28-46-52-40(49(34)37)16-7-19-43(52)55-58(46)56-44-20-8-17-41-51-36(27-24-33-12-3-6-15-39(33)51)30-48(53(41)44)60(56)57-45-21-9-18-42-50-35(29-47(54(42)45)59(55)57)26-23-32-11-2-5-14-38(32)50/h1-30H
• InChIKey: GJCVYOZXFDDFCZ-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 0.00 Ų
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.90
LogP ≤ 5	17.30
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 hexadecacyclo[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 hexadecacyclo[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 11445613) is hexadecacyclo[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 hexadecacyclo[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 hexadecacyclo[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 c1ccc2c(c1)ccc1cc3c4c(cccc4c4c3c3c5cccc6c7c(ccc8ccccc87)cc(c65)c3c3c5cccc6c7c(ccc8ccccc87)cc(c65)c43)c12.

What is the InChIKey of hexadecacyclo[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 GJCVYOZXFDDFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30/c1-4-13-37-31(10-1)22-25-34-28-46-52-40(49(34)37)16-7-19-43(52)55-58(46)56-44-20-8-17-41-51-36(27-24-33-12-3-6-15-39(33)51)30-48(53(41)44)60(56)57-45-21-9-18-42-50-35(29-47(54(42)45)59(55)57)26-23-32-11-2-5-14-38(32)50/h1-30H.

What are the key properties of hexadecacyclo[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?

hexadecacyclo[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 750.90 g/mol, XLogP of 17.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for hexadecacyclo[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 11445613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).