5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

C55H40F6 — CID 90297078

About 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (PubChem CID 90297078) has the molecular formula C55H40F6 and a molecular weight of 814.91 g/mol. Its IUPAC name is 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.

Molecular Properties

• Compound Name: 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
• PubChem CID: 90297078
• Molecular Formula: C55H40F6
• Molecular Weight: 814.91 g/mol
• Exact Mass: 814.30
• IUPAC Name: 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
• SMILES: CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc(C(F)(F)F)cc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2c1-3
• InChI: InChI=1S/C55H40F6/c1-51(2)43-27-41-45(52(3,4)47-23-37(33-11-7-9-13-35(33)49(41)47)29-15-19-31(20-16-29)54(56,57)58)25-39(43)40-26-46-42(28-44(40)51)50-36-14-10-8-12-34(36)38(24-48(50)53(46,5)6)30-17-21-32(22-18-30)55(59,60)61/h7-28H,1-6H3
• InChIKey: ISAONSBYKJMWEK-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.91
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The IUPAC name of 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (CID 90297078) is 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.

What is the SMILES notation for 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The canonical SMILES for 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc(C(F)(F)F)cc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2c1-3.

What is the InChIKey of 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The InChIKey is ISAONSBYKJMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40F6/c1-51(2)43-27-41-45(52(3,4)47-23-37(33-11-7-9-13-35(33)49(41)47)29-15-19-31(20-16-29)54(56,57)58)25-39(43)40-26-46-42(28-44(40)51)50-36-14-10-8-12-34(36)38(24-48(50)53(46,5)6)30-17-21-32(22-18-30)55(59,60)61/h7-28H,1-6H3.

What are the key properties of 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene has a molecular weight of 814.91 g/mol, XLogP of 16.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is sourced from PubChem (CID 90297078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).