2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene

C40H26F8O — CID 145340814

IUPAC2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2c1
InChIInChI=1S/C40H26F8O/c1-36(41,42)38(43,44)39(45,46)40(47,48)49-31-20-18-25-16-17-26(22-28(25)23-31)27-19-21-33-32-14-8-9-15-34(32)37(35(33)24-27,29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-24H,1H3
InChIKeyPCPYEPWRKWLBQP-UHFFFAOYSA-N
MW674.63 g/mol
LogP11.77
Rot. Bonds8

About 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene

2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene (PubChem CID 145340814) has the molecular formula C40H26F8O and a molecular weight of 674.63 g/mol. Its IUPAC name is 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene
PubChem CID145340814
Molecular FormulaC40H26F8O
Molecular Weight674.63 g/mol
Exact Mass674.19
IUPAC Name2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2c1
InChIInChI=1S/C40H26F8O/c1-36(41,42)38(43,44)39(45,46)40(47,48)49-31-20-18-25-16-17-26(22-28(25)23-31)27-19-21-33-32-14-8-9-15-34(32)37(35(33)24-27,29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-24H,1H3
InChIKeyPCPYEPWRKWLBQP-UHFFFAOYSA-N
XLogP11.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.63
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene?
The IUPAC name of 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene (CID 145340814) is 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene?
The canonical SMILES for 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2c1.
What is the InChIKey of 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene?
The InChIKey is PCPYEPWRKWLBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F8O/c1-36(41,42)38(43,44)39(45,46)40(47,48)49-31-20-18-25-16-17-26(22-28(25)23-31)27-19-21-33-32-14-8-9-15-34(32)37(35(33)24-27,29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-24H,1H3.
What are the key properties of 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene?
2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene has a molecular weight of 674.63 g/mol, XLogP of 11.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,1,2,2,3,3,4,4-octafluoropentoxy)naphthalen-2-yl]-9,9-diphenylfluorene is sourced from PubChem (CID 145340814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).