[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C38H26FP — CID 164886915

IUPAC[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESFc1cccc(-c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1
InChIInChI=1S/C38H26FP/c39-30-15-11-14-29(26-30)35-24-22-27-12-7-9-20-33(27)37(35)38-34-21-10-8-13-28(34)23-25-36(38)40(31-16-3-1-4-17-31)32-18-5-2-6-19-32/h1-26H
InChIKeyBMTWCEQHTWFKHP-UHFFFAOYSA-N
MW532.60 g/mol
LogP9.22
Rot. Bonds5

About [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 164886915) has the molecular formula C38H26FP and a molecular weight of 532.60 g/mol. Its IUPAC name is [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID164886915
Molecular FormulaC38H26FP
Molecular Weight532.60 g/mol
Exact Mass532.18
IUPAC Name[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESFc1cccc(-c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1
InChIInChI=1S/C38H26FP/c39-30-15-11-14-29(26-30)35-24-22-27-12-7-9-20-33(27)37(35)38-34-21-10-8-13-28(34)23-25-36(38)40(31-16-3-1-4-17-31)32-18-5-2-6-19-32/h1-26H
InChIKeyBMTWCEQHTWFKHP-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
diphenyl-[1-(2-phenyl-1H-indol-3-yl)naphthalen-2-yl]phosphane
CID 164683402
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
bis(benzonitrile);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;palladium(2+);ditetrafluoroborate
CID 10866094
[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101172090
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 164886915) is [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is Fc1cccc(-c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1.
What is the InChIKey of [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is BMTWCEQHTWFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26FP/c39-30-15-11-14-29(26-30)35-24-22-27-12-7-9-20-33(27)37(35)38-34-21-10-8-13-28(34)23-25-36(38)40(31-16-3-1-4-17-31)32-18-5-2-6-19-32/h1-26H.
What are the key properties of [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 532.60 g/mol, XLogP of 9.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 164886915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).