2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene

C81H92 — CID 23568230

IUPAC2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(C)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C81H92/c1-12-38-78(39-13-2)70-23-21-20-22-62(70)64-32-25-56(45-72(64)78)57-27-34-66-67-35-28-59(48-75(67)80(42-16-5,43-17-6)74(66)47-57)61-30-37-69-68-36-29-60(49-76(68)81(77(69)50-61,51-53(9)18-7)52-54(10)19-8)58-26-33-65-63-31-24-55(11)44-71(63)79(40-14-3,41-15-4)73(65)46-58/h20-37,44-50,53-54H,12-19,38-43,51-52H2,1-11H3
InChIKeyPPGZAVWSMPJZJD-UHFFFAOYSA-N
MW1065.63 g/mol
LogP23.74
Rot. Bonds21

About 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene

2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene (PubChem CID 23568230) has the molecular formula C81H92 and a molecular weight of 1065.63 g/mol. Its IUPAC name is 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene.

Molecular Properties

Compound Name2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
PubChem CID23568230
Molecular FormulaC81H92
Molecular Weight1065.63 g/mol
Exact Mass1064.72
IUPAC Name2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(C)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C81H92/c1-12-38-78(39-13-2)70-23-21-20-22-62(70)64-32-25-56(45-72(64)78)57-27-34-66-67-35-28-59(48-75(67)80(42-16-5,43-17-6)74(66)47-57)61-30-37-69-68-36-29-60(49-76(68)81(77(69)50-61,51-53(9)18-7)52-54(10)19-8)58-26-33-65-63-31-24-55(11)44-71(63)79(40-14-3,41-15-4)73(65)46-58/h20-37,44-50,53-54H,12-19,38-43,51-52H2,1-11H3
InChIKeyPPGZAVWSMPJZJD-UHFFFAOYSA-N
XLogP23.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.63
LogP ≤ 523.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene with MolForge

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Related Compounds

2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2-[9,9-bis(2-methylbutyl)-7-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]fluoren-2-yl]-7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028080
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028071
2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
CID 58648648
9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
CID 59512850
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-phenyl-9,9-dipropylfluorene
CID 154114384
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
2-[7-[7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87844763
butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene
CID 143365607
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene?
The IUPAC name of 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene (CID 23568230) is 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene.
What is the SMILES notation for 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene?
The canonical SMILES for 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene is CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(C)ccc7-8)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene?
The InChIKey is PPGZAVWSMPJZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H92/c1-12-38-78(39-13-2)70-23-21-20-22-62(70)64-32-25-56(45-72(64)78)57-27-34-66-67-35-28-59(48-75(67)80(42-16-5,43-17-6)74(66)47-57)61-30-37-69-68-36-29-60(49-76(68)81(77(69)50-61,51-53(9)18-7)52-54(10)19-8)58-26-33-65-63-31-24-55(11)44-71(63)79(40-14-3,41-15-4)73(65)46-58/h20-37,44-50,53-54H,12-19,38-43,51-52H2,1-11H3.
What are the key properties of 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene?
2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene has a molecular weight of 1065.63 g/mol, XLogP of 23.74, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene is sourced from PubChem (CID 23568230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).