4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol

C46H30FN3O — CID 176614244

IUPAC4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccn3)c2)n1
InChIInChI=1S/C46H30FN3O/c47-35-21-22-45(51)40(29-35)43-28-34(30-11-3-1-4-12-30)27-42(49-43)33-14-9-13-32(25-33)41-26-31(23-24-48-41)37-18-10-19-39-38-17-7-8-20-44(38)50(46(37)39)36-15-5-2-6-16-36/h1-29,51H
InChIKeyJALADHYPYJSEDB-UHFFFAOYSA-N
MW659.76 g/mol
LogP11.75
Rot. Bonds6

About 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol

4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol (PubChem CID 176614244) has the molecular formula C46H30FN3O and a molecular weight of 659.76 g/mol. Its IUPAC name is 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
PubChem CID176614244
Molecular FormulaC46H30FN3O
Molecular Weight659.76 g/mol
Exact Mass659.24
IUPAC Name4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccn3)c2)n1
InChIInChI=1S/C46H30FN3O/c47-35-21-22-45(51)40(29-35)43-28-34(30-11-3-1-4-12-30)27-42(49-43)33-14-9-13-32(25-33)41-26-31(23-24-48-41)37-18-10-19-39-38-17-7-8-20-44(38)50(46(37)39)36-15-5-2-6-16-36/h1-29,51H
InChIKeyJALADHYPYJSEDB-UHFFFAOYSA-N
XLogP11.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.76
LogP ≤ 511.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile
CID 176614256
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5-isocyanophenol
CID 176614293
1-[2-[3-[4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-4-pyridinyl]-9-phenylcarbazole
CID 168803338
2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 170676777
3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614228
5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614283
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 168803371
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylpyrido[2,3-b]indol-6-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 168803373
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221525

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol (CID 176614244) is 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol is Oc1ccc(F)cc1-c1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccn3)c2)n1.
What is the InChIKey of 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The InChIKey is JALADHYPYJSEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30FN3O/c47-35-21-22-45(51)40(29-35)43-28-34(30-11-3-1-4-12-30)27-42(49-43)33-14-9-13-32(25-33)41-26-31(23-24-48-41)37-18-10-19-39-38-17-7-8-20-44(38)50(46(37)39)36-15-5-2-6-16-36/h1-29,51H.
What are the key properties of 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol has a molecular weight of 659.76 g/mol, XLogP of 11.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 176614244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).