9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)

C42H32N2O2 — CID 139176023

IUPAC9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)
SMILESOC1(c2ccc(C3(O)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21.c1ccncc1.c1ccncc1
InChIInChI=1S/C32H22O2.2C5H5N/c33-31(27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)21-17-19-22(20-18-21)32(34)29-15-7-3-11-25(29)26-12-4-8-16-30(26)32;2*1-2-4-6-5-3-1/h1-20,33-34H;2*1-5H
InChIKeyKYTASCMQWCIKJB-UHFFFAOYSA-N
MW596.73 g/mol
LogP8.38
Rot. Bonds2

About 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)

9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine) (PubChem CID 139176023) has the molecular formula C42H32N2O2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine).

Molecular Properties

Compound Name9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)
PubChem CID139176023
Molecular FormulaC42H32N2O2
Molecular Weight596.73 g/mol
Exact Mass596.25
IUPAC Name9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)
SMILESOC1(c2ccc(C3(O)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21.c1ccncc1.c1ccncc1
InChIInChI=1S/C32H22O2.2C5H5N/c33-31(27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)21-17-19-22(20-18-21)32(34)29-15-7-3-11-25(29)26-12-4-8-16-30(26)32;2*1-2-4-6-5-3-1/h1-20,33-34H;2*1-5H
InChIKeyKYTASCMQWCIKJB-UHFFFAOYSA-N
XLogP8.38
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)?
The IUPAC name of 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine) (CID 139176023) is 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine).
What is the SMILES notation for 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)?
The canonical SMILES for 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine) is OC1(c2ccc(C3(O)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21.c1ccncc1.c1ccncc1.
What is the InChIKey of 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)?
The InChIKey is KYTASCMQWCIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2.2C5H5N/c33-31(27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)21-17-19-22(20-18-21)32(34)29-15-7-3-11-25(29)26-12-4-8-16-30(26)32;2*1-2-4-6-5-3-1/h1-20,33-34H;2*1-5H.
What are the key properties of 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine)?
9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine) has a molecular weight of 596.73 g/mol, XLogP of 8.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(pyridine) is sourced from PubChem (CID 139176023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).