2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol

C28H20FOP — CID 139708299

IUPAC2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol
SMILESOc1ccccc1-c1c(-c2ccccc2-c2ccc(F)cc2)c(P)cc2ccccc12
InChIInChI=1S/C28H20FOP/c29-20-15-13-18(14-16-20)21-8-3-4-10-23(21)28-26(31)17-19-7-1-2-9-22(19)27(28)24-11-5-6-12-25(24)30/h1-17,30H,31H2
InChIKeyIWMJPDHZNKVTNN-UHFFFAOYSA-N
MW422.44 g/mol
LogP7.19
Rot. Bonds3

About 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol

2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol (PubChem CID 139708299) has the molecular formula C28H20FOP and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol
PubChem CID139708299
Molecular FormulaC28H20FOP
Molecular Weight422.44 g/mol
Exact Mass422.12
IUPAC Name2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol
SMILESOc1ccccc1-c1c(-c2ccccc2-c2ccc(F)cc2)c(P)cc2ccccc12
InChIInChI=1S/C28H20FOP/c29-20-15-13-18(14-16-20)21-8-3-4-10-23(21)28-26(31)17-19-7-1-2-9-22(19)27(28)24-11-5-6-12-25(24)30/h1-17,30H,31H2
InChIKeyIWMJPDHZNKVTNN-UHFFFAOYSA-N
XLogP7.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol
CID 4181148
5-(4-fluorophenyl)-11H-benzo[b]fluoren-11-ol
CID 102489922
9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
CID 122597790
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
CID 167155067
5-fluoro-2-naphthalen-1-ylphenol
CID 83128476
6-[4-(2-hydroxyphenyl)phenyl]naphthalen-1-ol
CID 138695753
2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine
CID 159255421
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972
naphthalene;2-(10-phenylanthracen-9-yl)phenol
CID 157129237
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
CID 142593010
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol (CID 139708299) is 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol is Oc1ccccc1-c1c(-c2ccccc2-c2ccc(F)cc2)c(P)cc2ccccc12.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol?
The InChIKey is IWMJPDHZNKVTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FOP/c29-20-15-13-18(14-16-20)21-8-3-4-10-23(21)28-26(31)17-19-7-1-2-9-22(19)27(28)24-11-5-6-12-25(24)30/h1-17,30H,31H2.
What are the key properties of 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol?
2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol has a molecular weight of 422.44 g/mol, XLogP of 7.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)phenyl]-3-phosphanylnaphthalen-1-yl]phenol is sourced from PubChem (CID 139708299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).