12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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

C93H85F9 — CID 89323838

IUPAC12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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(C)(C)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1cc(C(C)(CCC)c3ccc4c(c3)C(C)(C)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/C93H85F9/c1-14-38-84(9,56-26-32-62-60-22-18-20-24-70(60)86(11,78(62)44-56)91(94,95)96)54-28-34-66-69-41-53-51-90(17-4,73(53)49-77(69)82(5,6)74(66)42-54)59-31-37-65-64-33-27-57(45-79(64)88(13,81(65)47-59)93(100,101)102)85(10,39-15-2)55-29-35-67-68-40-52-50-89(16-3,72(52)48-76(68)83(7,8)75(67)43-55)58-30-36-63-61-23-19-21-25-71(61)87(12,80(63)46-58)92(97,98)99/h18-37,40-49H,14-17,38-39,50-51H2,1-13H3
InChIKeyLGENFZBGQPCSSD-UHFFFAOYSA-N
MW1373.68 g/mol
LogP25.56
Rot. Bonds12

About 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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

12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 89323838) has the molecular formula C93H85F9 and a molecular weight of 1373.68 g/mol. Its IUPAC name is 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 Name12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 CID89323838
Molecular FormulaC93H85F9
Molecular Weight1373.68 g/mol
Exact Mass1372.65
IUPAC Name12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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(C)(C)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1cc(C(C)(CCC)c3ccc4c(c3)C(C)(C)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/C93H85F9/c1-14-38-84(9,56-26-32-62-60-22-18-20-24-70(60)86(11,78(62)44-56)91(94,95)96)54-28-34-66-69-41-53-51-90(17-4,73(53)49-77(69)82(5,6)74(66)42-54)59-31-37-65-64-33-27-57(45-79(64)88(13,81(65)47-59)93(100,101)102)85(10,39-15-2)55-29-35-67-68-40-52-50-89(16-3,72(52)48-76(68)83(7,8)75(67)43-55)58-30-36-63-61-23-19-21-25-71(61)87(12,80(63)46-58)92(97,98)99/h18-37,40-49H,14-17,38-39,50-51H2,1-13H3
InChIKeyLGENFZBGQPCSSD-UHFFFAOYSA-N
XLogP25.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.68
LogP ≤ 525.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 89323838) is 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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(C)(C)c1cc3c(cc1-2)CC3(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1cc(C(C)(CCC)c3ccc4c(c3)C(C)(C)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 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 LGENFZBGQPCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H85F9/c1-14-38-84(9,56-26-32-62-60-22-18-20-24-70(60)86(11,78(62)44-56)91(94,95)96)54-28-34-66-69-41-53-51-90(17-4,73(53)49-77(69)82(5,6)74(66)42-54)59-31-37-65-64-33-27-57(45-79(64)88(13,81(65)47-59)93(100,101)102)85(10,39-15-2)55-29-35-67-68-40-52-50-89(16-3,72(52)48-76(68)83(7,8)75(67)43-55)58-30-36-63-61-23-19-21-25-71(61)87(12,80(63)46-58)92(97,98)99/h18-37,40-49H,14-17,38-39,50-51H2,1-13H3.
What are the key properties of 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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?
12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 1373.68 g/mol, XLogP of 25.56, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-5-[2-[7-[12-ethyl-8,8-dimethyl-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-methyl-9-(trifluoromethyl)fluoren-2-yl]pentan-2-yl]-8,8-dimethyl-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 89323838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).