9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol

C40H38O2 — CID 15828167

IUPAC9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol
SMILESCCc1ccc2c(c1)C(O)(c1ccc(C3(O)c4cc(CC)ccc4-c4ccc(CC)cc43)cc1)c1cc(CC)ccc1-2
InChIInChI=1S/C40H38O2/c1-5-25-9-17-31-32-18-10-26(6-2)22-36(32)39(41,35(31)21-25)29-13-15-30(16-14-29)40(42)37-23-27(7-3)11-19-33(37)34-20-12-28(8-4)24-38(34)40/h9-24,41-42H,5-8H2,1-4H3
InChIKeyLUSRIZIPNQMNBT-UHFFFAOYSA-N
MW550.74 g/mol
LogP8.47
Rot. Bonds6

About 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol

9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol (PubChem CID 15828167) has the molecular formula C40H38O2 and a molecular weight of 550.74 g/mol. Its IUPAC name is 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol.

Molecular Properties

Compound Name9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol
PubChem CID15828167
Molecular FormulaC40H38O2
Molecular Weight550.74 g/mol
Exact Mass550.29
IUPAC Name9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol
SMILESCCc1ccc2c(c1)C(O)(c1ccc(C3(O)c4cc(CC)ccc4-c4ccc(CC)cc43)cc1)c1cc(CC)ccc1-2
InChIInChI=1S/C40H38O2/c1-5-25-9-17-31-32-18-10-26(6-2)22-36(32)39(41,35(31)21-25)29-13-15-30(16-14-29)40(42)37-23-27(7-3)11-19-33(37)34-20-12-28(8-4)24-38(34)40/h9-24,41-42H,5-8H2,1-4H3
InChIKeyLUSRIZIPNQMNBT-UHFFFAOYSA-N
XLogP8.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.74
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol?
The IUPAC name of 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol (CID 15828167) is 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol.
What is the SMILES notation for 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol?
The canonical SMILES for 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol is CCc1ccc2c(c1)C(O)(c1ccc(C3(O)c4cc(CC)ccc4-c4ccc(CC)cc43)cc1)c1cc(CC)ccc1-2.
What is the InChIKey of 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol?
The InChIKey is LUSRIZIPNQMNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38O2/c1-5-25-9-17-31-32-18-10-26(6-2)22-36(32)39(41,35(31)21-25)29-13-15-30(16-14-29)40(42)37-23-27(7-3)11-19-33(37)34-20-12-28(8-4)24-38(34)40/h9-24,41-42H,5-8H2,1-4H3.
What are the key properties of 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol?
9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol has a molecular weight of 550.74 g/mol, XLogP of 8.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol is sourced from PubChem (CID 15828167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).