[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane

C56H40P2 — CID 10284023

IUPAC[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(-c2cc3ccccc3c(-c3c(P(c4ccccc4)c4ccccc4)c(-c4ccccc4)cc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H40P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)57(45-29-11-3-12-30-45)46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)58(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H
InChIKeyQCIBRTZIVDNBKI-UHFFFAOYSA-N
MW774.88 g/mol
LogP12.51
Rot. Bonds9

About [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane

[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane (PubChem CID 10284023) has the molecular formula C56H40P2 and a molecular weight of 774.88 g/mol. Its IUPAC name is [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
PubChem CID10284023
Molecular FormulaC56H40P2
Molecular Weight774.88 g/mol
Exact Mass774.26
IUPAC Name[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(-c2cc3ccccc3c(-c3c(P(c4ccccc4)c4ccccc4)c(-c4ccccc4)cc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H40P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)57(45-29-11-3-12-30-45)46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)58(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H
InChIKeyQCIBRTZIVDNBKI-UHFFFAOYSA-N
XLogP12.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.88
LogP ≤ 512.51
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

dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
[1-[2-(diphenylphosphanylmethyl)-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-yl]methyl-diphenylphosphane;tetrakis(2-ethyl-1-(2-ethyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalene)
CID 162119112
CID 162326327
CID 162326327
2-chloro-1,3-diphenylnaphthalene
CID 12697982
(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
CID 12979651
2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
CID 58898275
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284

Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane (CID 10284023) is [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane is c1ccc(-c2cc3ccccc3c(-c3c(P(c4ccccc4)c4ccccc4)c(-c4ccccc4)cc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane?
The InChIKey is QCIBRTZIVDNBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)57(45-29-11-3-12-30-45)46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)58(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H.
What are the key properties of [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane?
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane has a molecular weight of 774.88 g/mol, XLogP of 12.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 10284023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).