2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

C57H62 — CID 86174244

IUPAC2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C57H62/c1-7-29-55(30-8-2)49-19-15-13-17-43(49)45-25-21-39(35-51(45)55)41-23-27-47-48-28-24-42(38-54(48)57(33-11-5,34-12-6)53(47)37-41)40-22-26-46-44-18-14-16-20-50(44)56(31-9-3,32-10-4)52(46)36-40/h13-28,35-38H,7-12,29-34H2,1-6H3
InChIKeyYLNFSKGDWXSKPB-UHFFFAOYSA-N
MW747.12 g/mol
LogP16.62
Rot. Bonds14

About 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (PubChem CID 86174244) has the molecular formula C57H62 and a molecular weight of 747.12 g/mol. Its IUPAC name is 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.

Molecular Properties

Compound Name2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
PubChem CID86174244
Molecular FormulaC57H62
Molecular Weight747.12 g/mol
Exact Mass746.49
IUPAC Name2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C57H62/c1-7-29-55(30-8-2)49-19-15-13-17-43(49)45-25-21-39(35-51(45)55)41-23-27-47-48-28-24-42(38-54(48)57(33-11-5,34-12-6)53(47)37-41)40-22-26-46-44-18-14-16-20-50(44)56(31-9-3,32-10-4)52(46)36-40/h13-28,35-38H,7-12,29-34H2,1-6H3
InChIKeyYLNFSKGDWXSKPB-UHFFFAOYSA-N
XLogP16.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.12
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-phenyl-9,9-dipropylfluorene
CID 154114384
2-(9,9-dipropylfluoren-2-yl)thiophene
CID 129094201
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
CID 20822027
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
9-(9,9-dipropylfluoren-2-yl)-10-[10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822005
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
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
CID 102430700
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene
CID 58782779

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The IUPAC name of 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (CID 86174244) is 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.
What is the SMILES notation for 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The canonical SMILES for 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene is CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The InChIKey is YLNFSKGDWXSKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62/c1-7-29-55(30-8-2)49-19-15-13-17-43(49)45-25-21-39(35-51(45)55)41-23-27-47-48-28-24-42(38-54(48)57(33-11-5,34-12-6)53(47)37-41)40-22-26-46-44-18-14-16-20-50(44)56(31-9-3,32-10-4)52(46)36-40/h13-28,35-38H,7-12,29-34H2,1-6H3.
What are the key properties of 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene has a molecular weight of 747.12 g/mol, XLogP of 16.62, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene is sourced from PubChem (CID 86174244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).