5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene

C101H104F6 — CID 89323835

About 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene

5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene (PubChem CID 89323835) has the molecular formula C101H104F6 and a molecular weight of 1431.93 g/mol. Its IUPAC name is 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene.

Molecular Properties

• Compound Name: 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
• PubChem CID: 89323835
• Molecular Formula: C101H104F6
• Molecular Weight: 1431.93 g/mol
• Exact Mass: 1430.80
• IUPAC Name: 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
• SMILES: CCCC(C)(c1ccc2c(c1)C(CC)(CC)c1cc(C3(CC)Cc4cc5c(cc43)C(CC)(CC)c3cc(C(C)(CCC)c4ccc6c(c4)C(CC)(C(F)(F)F)c4ccccc4-6)ccc3-5)ccc1-2)c1ccc2c(c1)C(CC)(CC)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(CC)(C(F)(F)F)c1ccccc1-2
• InChI: InChI=1S/C101H104F6/c1-15-47-91(13,64-37-43-75-78-50-62-60-97(24-10,82(62)58-88(78)94(19-5,20-6)84(75)52-64)68-40-46-74-70-32-28-30-34-80(70)99(26-12,90(74)56-68)101(105,106)107)63-35-41-71-72-45-39-67(55-86(72)93(17-3,18-4)83(71)51-63)96(23-9)59-61-49-77-76-44-38-65(53-85(76)95(21-7,22-8)87(77)57-81(61)96)92(14,48-16-2)66-36-42-73-69-31-27-29-33-79(69)98(25-11,89(73)54-66)100(102,103)104/h27-46,49-58H,15-26,47-48,59-60H2,1-14H3
• InChIKey: AYEYBKHFPASBBX-UHFFFAOYSA-N
• XLogP: 28.14
• TPSA: 0.00 Ų
• Rotatable Bonds: 20
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.93
LogP ≤ 5	28.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene?

The IUPAC name of 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene (CID 89323835) is 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene.

What is the SMILES notation for 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene?

The canonical SMILES for 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene is CCCC(C)(c1ccc2c(c1)C(CC)(CC)c1cc(C3(CC)Cc4cc5c(cc43)C(CC)(CC)c3cc(C(C)(CCC)c4ccc6c(c4)C(CC)(C(F)(F)F)c4ccccc4-6)ccc3-5)ccc1-2)c1ccc2c(c1)C(CC)(CC)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(CC)(C(F)(F)F)c1ccccc1-2.

What is the InChIKey of 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene?

The InChIKey is AYEYBKHFPASBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H104F6/c1-15-47-91(13,64-37-43-75-78-50-62-60-97(24-10,82(62)58-88(78)94(19-5,20-6)84(75)52-64)68-40-46-74-70-32-28-30-34-80(70)99(26-12,90(74)56-68)101(105,106)107)63-35-41-71-72-45-39-67(55-86(72)93(17-3,18-4)83(71)51-63)96(23-9)59-61-49-77-76-44-38-65(53-85(76)95(21-7,22-8)87(77)57-81(61)96)92(14,48-16-2)66-36-42-73-69-31-27-29-33-79(69)98(25-11,89(73)54-66)100(102,103)104/h27-46,49-58H,15-26,47-48,59-60H2,1-14H3.

What are the key properties of 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene?

5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene has a molecular weight of 1431.93 g/mol, XLogP of 28.14, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[9,9-diethyl-7-[8,8,12-triethyl-5-[2-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]fluoren-2-yl]pentan-2-yl]-8,8,12-triethyl-12-[9-ethyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene is sourced from PubChem (CID 89323835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).