7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene

C65H48O6 — CID 138984851

About 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene

7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene (PubChem CID 138984851) has the molecular formula C65H48O6 and a molecular weight of 925.09 g/mol. Its IUPAC name is 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene.

Molecular Properties

• Compound Name: 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene
• PubChem CID: 138984851
• Molecular Formula: C65H48O6
• Molecular Weight: 925.09 g/mol
• Exact Mass: 924.35
• IUPAC Name: 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene
• SMILES: COc1ccc2c3ccc(OC)cc3c3cc4c(cc3c2c1)C1c2cc3c5cc(OC)ccc5c5ccc(OC)cc5c3cc2C2c3cc5c6cc(OC)ccc6c6ccc(OC)cc6c5cc3C4C12C
• InChI: InChI=1S/C65H48O6/c1-65-62-56-26-50-44-20-32(66-2)8-14-38(44)39-15-9-33(67-3)21-45(39)51(50)27-57(56)63(65)60-30-54-48-24-36(70-6)12-18-42(48)43-19-13-37(71-7)25-49(43)55(54)31-61(60)64(65)59-29-53-47-23-35(69-5)11-17-41(47)40-16-10-34(68-4)22-46(40)52(53)28-58(59)62/h8-31,62-64H,1-7H3
• InChIKey: NIJRKJRPHDTKPA-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.09
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene?

The IUPAC name of 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene (CID 138984851) is 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene.

What is the SMILES notation for 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene?

The canonical SMILES for 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene is COc1ccc2c3ccc(OC)cc3c3cc4c(cc3c2c1)C1c2cc3c5cc(OC)ccc5c5ccc(OC)cc5c3cc2C2c3cc5c6cc(OC)ccc6c6ccc(OC)cc6c5cc3C4C12C.

What is the InChIKey of 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene?

The InChIKey is NIJRKJRPHDTKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48O6/c1-65-62-56-26-50-44-20-32(66-2)8-14-38(44)39-15-9-33(67-3)21-45(39)51(50)27-57(56)63(65)60-30-54-48-24-36(70-6)12-18-42(48)43-19-13-37(71-7)25-49(43)55(54)31-61(60)64(65)59-29-53-47-23-35(69-5)11-17-41(47)40-16-10-34(68-4)22-46(40)52(53)28-58(59)62/h8-31,62-64H,1-7H3.

What are the key properties of 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene?

7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene has a molecular weight of 925.09 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene is sourced from PubChem (CID 138984851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).