[1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

C42H30P2 — CID 154437226

IUPAC[1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(Pc3ccc4ccccc4c3)ccc3ccccc23)cc1
InChIInChI=1S/C42H30P2/c1-3-17-35(18-4-1)44(36-19-5-2-6-20-36)40-28-25-32-15-10-12-22-38(32)42(40)41-37-21-11-9-14-31(37)24-27-39(41)43-34-26-23-30-13-7-8-16-33(30)29-34/h1-29,43H
InChIKeyOECAOEIFUFXMKQ-UHFFFAOYSA-N
MW596.65 g/mol
LogP9.20
Rot. Bonds6

About [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

[1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 154437226) has the molecular formula C42H30P2 and a molecular weight of 596.65 g/mol. Its IUPAC name is [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
PubChem CID154437226
Molecular FormulaC42H30P2
Molecular Weight596.65 g/mol
Exact Mass596.18
IUPAC Name[1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(Pc3ccc4ccccc4c3)ccc3ccccc23)cc1
InChIInChI=1S/C42H30P2/c1-3-17-35(18-4-1)44(36-19-5-2-6-20-36)40-28-25-32-15-10-12-22-38(32)42(40)41-37-21-11-9-14-31(37)24-27-39(41)43-34-26-23-30-13-7-8-16-33(30)29-34/h1-29,43H
InChIKeyOECAOEIFUFXMKQ-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.65
LogP ≤ 59.20
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
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride
CID 25029251

Frequently Asked Questions

What is the IUPAC name of [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (CID 154437226) is [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(Pc3ccc4ccccc4c3)ccc3ccccc23)cc1.
What is the InChIKey of [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The InChIKey is OECAOEIFUFXMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30P2/c1-3-17-35(18-4-1)44(36-19-5-2-6-20-36)40-28-25-32-15-10-12-22-38(32)42(40)41-37-21-11-9-14-31(37)24-27-39(41)43-34-26-23-30-13-7-8-16-33(30)29-34/h1-29,43H.
What are the key properties of [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
[1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 596.65 g/mol, XLogP of 9.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 154437226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).