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

C97H93F9 — CID 89323845

IUPAC8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
SMILESCCCC(C)(c1ccc2c(c1)C(CC)(CC)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1cc(C(C)(CCC)c3ccc4c(c3)C(CC)(CC)c3cc5c(cc3-4)CC5(CC)c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)ccc1-2)c1ccc2c(c1)C(C)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C97H93F9/c1-14-42-86(9,58-30-36-66-64-26-22-24-28-74(64)88(11,78(66)46-58)95(98,99)100)60-32-38-70-73-45-57-55-94(21-8,77(57)53-85(73)91(16-3,17-4)82(70)48-60)63-35-41-69-68-37-31-59(47-79(68)90(13,81(69)51-63)97(104,105)106)87(10,43-15-2)61-33-39-71-72-44-56-54-93(20-7,76(56)52-84(72)92(18-5,19-6)83(71)49-61)62-34-40-67-65-27-23-25-29-75(65)89(12,80(67)50-62)96(101,102)103/h22-41,44-53H,14-21,42-43,54-55H2,1-13H3
InChIKeyQVZMWGAJNRMTLW-UHFFFAOYSA-N
MW1429.79 g/mol
LogP27.12
Rot. Bonds16

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

8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 89323845) has the molecular formula C97H93F9 and a molecular weight of 1429.79 g/mol. Its IUPAC name is 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 Name8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
PubChem CID89323845
Molecular FormulaC97H93F9
Molecular Weight1429.79 g/mol
Exact Mass1428.71
IUPAC Name8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
SMILESCCCC(C)(c1ccc2c(c1)C(CC)(CC)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1cc(C(C)(CCC)c3ccc4c(c3)C(CC)(CC)c3cc5c(cc3-4)CC5(CC)c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)ccc1-2)c1ccc2c(c1)C(C)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C97H93F9/c1-14-42-86(9,58-30-36-66-64-26-22-24-28-74(64)88(11,78(66)46-58)95(98,99)100)60-32-38-70-73-45-57-55-94(21-8,77(57)53-85(73)91(16-3,17-4)82(70)48-60)63-35-41-69-68-37-31-59(47-79(68)90(13,81(69)51-63)97(104,105)106)87(10,43-15-2)61-33-39-71-72-44-56-54-93(20-7,76(56)52-84(72)92(18-5,19-6)83(71)49-61)62-34-40-67-65-27-23-25-29-75(65)89(12,80(67)50-62)96(101,102)103/h22-41,44-53H,14-21,42-43,54-55H2,1-13H3
InChIKeyQVZMWGAJNRMTLW-UHFFFAOYSA-N
XLogP27.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001429.79
LogP ≤ 527.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene (CID 89323845) is 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1cc(C(C)(CCC)c3ccc4c(c3)C(CC)(CC)c3cc5c(cc3-4)CC5(CC)c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)ccc1-2)c1ccc2c(c1)C(C)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 QVZMWGAJNRMTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H93F9/c1-14-42-86(9,58-30-36-66-64-26-22-24-28-74(64)88(11,78(66)46-58)95(98,99)100)60-32-38-70-73-45-57-55-94(21-8,77(57)53-85(73)91(16-3,17-4)82(70)48-60)63-35-41-69-68-37-31-59(47-79(68)90(13,81(69)51-63)97(104,105)106)87(10,43-15-2)61-33-39-71-72-44-56-54-93(20-7,76(56)52-84(72)92(18-5,19-6)83(71)49-61)62-34-40-67-65-27-23-25-29-75(65)89(12,80(67)50-62)96(101,102)103/h22-41,44-53H,14-21,42-43,54-55H2,1-13H3.
What are the key properties of 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene?
8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 1429.79 g/mol, XLogP of 27.12, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,12-triethyl-5-[2-[9-methyl-7-[8,8,12-triethyl-5-[2-[9-methyl-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]-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-12-[9-methyl-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 89323845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).