2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol

C41H28N2O — CID 140806096

IUPAC2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C41H28N2O/c44-38-21-9-6-15-32(38)30-25-29(28-13-2-1-3-14-28)26-31(27-30)37-20-12-23-40(43-37)41(39-22-10-11-24-42-39)35-18-7-4-16-33(35)34-17-5-8-19-36(34)41/h1-27,44H
InChIKeyCMITYJNYNGZKLN-UHFFFAOYSA-N
MW564.69 g/mol
LogP9.55
Rot. Bonds5

About 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol

2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol (PubChem CID 140806096) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol.

Molecular Properties

Compound Name2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
PubChem CID140806096
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC Name2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C41H28N2O/c44-38-21-9-6-15-32(38)30-25-29(28-13-2-1-3-14-28)26-31(27-30)37-20-12-23-40(43-37)41(39-22-10-11-24-42-39)35-18-7-4-16-33(35)34-17-5-8-19-36(34)41/h1-27,44H
InChIKeyCMITYJNYNGZKLN-UHFFFAOYSA-N
XLogP9.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 130320577
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol
CID 140805992
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile
CID 170514345
2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
CID 142384952
2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
CID 161415824
2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511811
2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511765

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
The IUPAC name of 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol (CID 140806096) is 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol.
What is the SMILES notation for 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
The canonical SMILES for 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)c1.
What is the InChIKey of 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
The InChIKey is CMITYJNYNGZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c44-38-21-9-6-15-32(38)30-25-29(28-13-2-1-3-14-28)26-31(27-30)37-20-12-23-40(43-37)41(39-22-10-11-24-42-39)35-18-7-4-16-33(35)34-17-5-8-19-36(34)41/h1-27,44H.
What are the key properties of 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol has a molecular weight of 564.69 g/mol, XLogP of 9.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol is sourced from PubChem (CID 140806096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).