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

C101H107F3 — CID 89323832

IUPAC5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
SMILESCCCC(C)(c1ccc2c(c1)C(CC)(CC)c1ccccc1-2)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(CC)(CC)c3ccccc3-4)ccc1-2
InChIInChI=1S/C101H107F3/c1-16-48-92(13,66-38-44-76-79-51-63-61-100(27-12,83(63)59-91(79)97(22-7,23-8)87(76)54-66)69-41-47-75-71-33-29-31-35-81(71)96(20-5,21-6)89(75)57-69)64-36-42-72-73-46-40-68(56-85(73)94(15,84(72)52-64)101(102,103)104)99(26-11)60-62-50-78-77-45-39-67(55-88(77)98(24-9,25-10)90(78)58-82(62)99)93(14,49-17-2)65-37-43-74-70-32-28-30-34-80(70)95(18-3,19-4)86(74)53-65/h28-47,50-59H,16-27,48-49,60-61H2,1-15H3
InChIKeyPXWQGSPWRNUZFJ-UHFFFAOYSA-N
MW1377.96 g/mol
LogP27.60
Rot. Bonds20

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

5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene (PubChem CID 89323832) has the molecular formula C101H107F3 and a molecular weight of 1377.96 g/mol. Its IUPAC name is 5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene.

Molecular Properties

Compound Name5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
PubChem CID89323832
Molecular FormulaC101H107F3
Molecular Weight1377.96 g/mol
Exact Mass1376.83
IUPAC Name5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene
SMILESCCCC(C)(c1ccc2c(c1)C(CC)(CC)c1ccccc1-2)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(CC)(CC)c3ccccc3-4)ccc1-2
InChIInChI=1S/C101H107F3/c1-16-48-92(13,66-38-44-76-79-51-63-61-100(27-12,83(63)59-91(79)97(22-7,23-8)87(76)54-66)69-41-47-75-71-33-29-31-35-81(71)96(20-5,21-6)89(75)57-69)64-36-42-72-73-46-40-68(56-85(73)94(15,84(72)52-64)101(102,103)104)99(26-11)60-62-50-78-77-45-39-67(55-88(77)98(24-9,25-10)90(78)58-82(62)99)93(14,49-17-2)65-37-43-74-70-32-28-30-34-80(70)95(18-3,19-4)86(74)53-65/h28-47,50-59H,16-27,48-49,60-61H2,1-15H3
InChIKeyPXWQGSPWRNUZFJ-UHFFFAOYSA-N
XLogP27.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.96
LogP ≤ 527.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[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-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene (CID 89323832) is 5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[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-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[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-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[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)c1ccccc1-2)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(CC)(CC)c3ccccc3-4)ccc1-2.
What is the InChIKey of 5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene?
The InChIKey is PXWQGSPWRNUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H107F3/c1-16-48-92(13,66-38-44-76-79-51-63-61-100(27-12,83(63)59-91(79)97(22-7,23-8)87(76)54-66)69-41-47-75-71-33-29-31-35-81(71)96(20-5,21-6)89(75)57-69)64-36-42-72-73-46-40-68(56-85(73)94(15,84(72)52-64)101(102,103)104)99(26-11)60-62-50-78-77-45-39-67(55-88(77)98(24-9,25-10)90(78)58-82(62)99)93(14,49-17-2)65-37-43-74-70-32-28-30-34-80(70)95(18-3,19-4)86(74)53-65/h28-47,50-59H,16-27,48-49,60-61H2,1-15H3.
What are the key properties of 5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene?
5-[2-(9,9-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene has a molecular weight of 1377.96 g/mol, XLogP of 27.60, 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-diethylfluoren-2-yl)pentan-2-yl]-12-[7-[2-[12-(9,9-diethylfluoren-2-yl)-8,8,12-triethyl-5-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]pentan-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-8,8,12-triethyltetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene is sourced from PubChem (CID 89323832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).