29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene

C62H44 — CID 163804299

About 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene

29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene (PubChem CID 163804299) has the molecular formula C62H44 and a molecular weight of 789.03 g/mol. Its IUPAC name is 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene.

Molecular Properties

• Compound Name: 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene
• PubChem CID: 163804299
• Molecular Formula: C62H44
• Molecular Weight: 789.03 g/mol
• Exact Mass: 788.34
• IUPAC Name: 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene
• SMILES: CCc1c2c3cccc4cccc(c2c(CC)c2c5ccc6c7ccc8c9cc(C)c%10c%11c(c(C)cc(c%12ccc(c%13ccc(c12)c5c%136)c7c%128)c%119)-c1c(C)c(C)c(C)c(C)c1-%10)c43
• InChI: InChI=1S/C62H44/c1-9-34-53-42-15-11-13-33-14-12-16-43(52(33)42)54(53)35(10-2)56-45-24-22-39-37-18-20-41-47-26-28(4)49-51-32(8)30(6)29(5)31(7)50(51)48-27(3)25-46(61(47)62(48)49)40-19-17-36(57(37)59(40)41)38-21-23-44(55(34)56)60(45)58(38)39/h11-26H,9-10H2,1-8H3
• InChIKey: NHQSZQFACOASJR-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.03
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'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 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene?

The IUPAC name of 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene (CID 163804299) is 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene.

What is the SMILES notation for 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene?

The canonical SMILES for 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene is CCc1c2c3cccc4cccc(c2c(CC)c2c5ccc6c7ccc8c9cc(C)c%10c%11c(c(C)cc(c%12ccc(c%13ccc(c12)c5c%136)c7c%128)c%119)-c1c(C)c(C)c(C)c(C)c1-%10)c43.

What is the InChIKey of 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene?

The InChIKey is NHQSZQFACOASJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44/c1-9-34-53-42-15-11-13-33-14-12-16-43(52(33)42)54(53)35(10-2)56-45-24-22-39-37-18-20-41-47-26-28(4)49-51-32(8)30(6)29(5)31(7)50(51)48-27(3)25-46(61(47)62(48)49)40-19-17-36(57(37)59(40)41)38-21-23-44(55(34)56)60(45)58(38)39/h11-26H,9-10H2,1-8H3.

What are the key properties of 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene?

29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene has a molecular weight of 789.03 g/mol, XLogP of 17.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene is sourced from PubChem (CID 163804299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).