2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene

C75H59F3 — CID 59245648

IUPAC2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(C)(C)c3ccccc3-5)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3-4)cc21
InChIInChI=1S/C75H59F3/c1-70(2)60-22-14-10-18-46(60)50-30-26-42(34-64(50)70)54-38-58-59-39-55(43-27-31-51-47-19-11-15-23-61(47)71(3,4)65(51)35-43)57(45-29-33-53-49-21-13-17-25-63(49)73(7,8)67(53)37-45)41-69(59)74(9,75(76,77)78)68(58)40-56(54)44-28-32-52-48-20-12-16-24-62(48)72(5,6)66(52)36-44/h10-41H,1-9H3
InChIKeyZQXDNWIPPVSODC-UHFFFAOYSA-N
MW1017.29 g/mol
LogP20.43
Rot. Bonds4

About 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene

2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene (PubChem CID 59245648) has the molecular formula C75H59F3 and a molecular weight of 1017.29 g/mol. Its IUPAC name is 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene.

Molecular Properties

Compound Name2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
PubChem CID59245648
Molecular FormulaC75H59F3
Molecular Weight1017.29 g/mol
Exact Mass1016.46
IUPAC Name2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(C)(C)c3ccccc3-5)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3-4)cc21
InChIInChI=1S/C75H59F3/c1-70(2)60-22-14-10-18-46(60)50-30-26-42(34-64(50)70)54-38-58-59-39-55(43-27-31-51-47-19-11-15-23-61(47)71(3,4)65(51)35-43)57(45-29-33-53-49-21-13-17-25-63(49)73(7,8)67(53)37-45)41-69(59)74(9,75(76,77)78)68(58)40-56(54)44-28-32-52-48-20-12-16-24-62(48)72(5,6)66(52)36-44/h10-41H,1-9H3
InChIKeyZQXDNWIPPVSODC-UHFFFAOYSA-N
XLogP20.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.29
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene
CID 59245613
2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512956
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene
CID 88882577
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene?
The IUPAC name of 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene (CID 59245648) is 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene.
What is the SMILES notation for 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene?
The canonical SMILES for 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene is CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(C)(C)c3ccccc3-5)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3-4)cc21.
What is the InChIKey of 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene?
The InChIKey is ZQXDNWIPPVSODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H59F3/c1-70(2)60-22-14-10-18-46(60)50-30-26-42(34-64(50)70)54-38-58-59-39-55(43-27-31-51-47-19-11-15-23-61(47)71(3,4)65(51)35-43)57(45-29-33-53-49-21-13-17-25-63(49)73(7,8)67(53)37-45)41-69(59)74(9,75(76,77)78)68(58)40-56(54)44-28-32-52-48-20-12-16-24-62(48)72(5,6)66(52)36-44/h10-41H,1-9H3.
What are the key properties of 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene?
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene has a molecular weight of 1017.29 g/mol, XLogP of 20.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene is sourced from PubChem (CID 59245648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).