9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)

C44H36N2O2 — CID 139176019

IUPAC9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)
SMILESCc1cccnc1.Cc1cccnc1.OC1(c2ccc(C3(O)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C32H22O2.2C6H7N/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*1-6-3-2-4-7-5-6/h1-20,33-34H;2*2-5H,1H3
InChIKeyNAVDRZWQJHSKMU-UHFFFAOYSA-N
MW624.78 g/mol
LogP9.00
Rot. Bonds2

About 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)

9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine) (PubChem CID 139176019) has the molecular formula C44H36N2O2 and a molecular weight of 624.78 g/mol. Its IUPAC name is 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine).

Molecular Properties

Compound Name9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)
PubChem CID139176019
Molecular FormulaC44H36N2O2
Molecular Weight624.78 g/mol
Exact Mass624.28
IUPAC Name9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)
SMILESCc1cccnc1.Cc1cccnc1.OC1(c2ccc(C3(O)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C32H22O2.2C6H7N/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*1-6-3-2-4-7-5-6/h1-20,33-34H;2*2-5H,1H3
InChIKeyNAVDRZWQJHSKMU-UHFFFAOYSA-N
XLogP9.00
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 59.00
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(3-methylpyridine)?
The IUPAC name of 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine) (CID 139176019) is 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine).
What is the SMILES notation for 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)?
The canonical SMILES for 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine) is Cc1cccnc1.Cc1cccnc1.OC1(c2ccc(C3(O)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)?
The InChIKey is NAVDRZWQJHSKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2.2C6H7N/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*1-6-3-2-4-7-5-6/h1-20,33-34H;2*2-5H,1H3.
What are the key properties of 9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine)?
9-[4-(9-hydroxyfluoren-9-yl)phenyl]fluoren-9-ol;bis(3-methylpyridine) has a molecular weight of 624.78 g/mol, XLogP of 9.00, 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(3-methylpyridine) is sourced from PubChem (CID 139176019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).