diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane

C46H33P — CID 166447914

IUPACdiphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3P(c3ccccc3)c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C46H33P/c1-6-20-34(21-7-1)43-39-30-16-17-31-40(39)46(45(36-24-10-3-11-25-36)44(43)35-22-8-2-9-23-35)41-32-18-19-33-42(41)47(37-26-12-4-13-27-37)38-28-14-5-15-29-38/h1-33H
InChIKeyJWNUNLSKGMMQES-UHFFFAOYSA-N
MW616.74 g/mol
LogP11.27
Rot. Bonds7

About diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane

diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane (PubChem CID 166447914) has the molecular formula C46H33P and a molecular weight of 616.74 g/mol. Its IUPAC name is diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
PubChem CID166447914
Molecular FormulaC46H33P
Molecular Weight616.74 g/mol
Exact Mass616.23
IUPAC Namediphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3P(c3ccccc3)c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C46H33P/c1-6-20-34(21-7-1)43-39-30-16-17-31-40(39)46(45(36-24-10-3-11-25-36)44(43)35-22-8-2-9-23-35)41-32-18-19-33-42(41)47(37-26-12-4-13-27-37)38-28-14-5-15-29-38/h1-33H
InChIKeyJWNUNLSKGMMQES-UHFFFAOYSA-N
XLogP11.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.74
LogP ≤ 511.27
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

[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
CID 144896528
(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane
CID 144896315
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 122414026
[2-(4-fluorophenyl)phenyl]-diphenylphosphane
CID 101050042
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane
CID 102595249
[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
CID 141480420
[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
CID 175500352
[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane
CID 151969344

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane?
The IUPAC name of diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane (CID 166447914) is diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane?
The canonical SMILES for diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3P(c3ccccc3)c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane?
The InChIKey is JWNUNLSKGMMQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33P/c1-6-20-34(21-7-1)43-39-30-16-17-31-40(39)46(45(36-24-10-3-11-25-36)44(43)35-22-8-2-9-23-35)41-32-18-19-33-42(41)47(37-26-12-4-13-27-37)38-28-14-5-15-29-38/h1-33H.
What are the key properties of diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane?
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane has a molecular weight of 616.74 g/mol, XLogP of 11.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane is sourced from PubChem (CID 166447914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).