[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane

C48H40O4P2 — CID 10462740

IUPAC[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H40O4P2/c1-49-35-15-23-39(24-16-35)53(40-25-17-36(50-2)18-26-40)45-31-13-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)14-32-46(48)54(41-27-19-37(51-3)20-28-41)42-29-21-38(52-4)22-30-42/h5-32H,1-4H3
InChIKeyVEYRFPIBBZGJTR-UHFFFAOYSA-N
MW742.79 g/mol
LogP9.21
Rot. Bonds11

About [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane

[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane (PubChem CID 10462740) has the molecular formula C48H40O4P2 and a molecular weight of 742.79 g/mol. Its IUPAC name is [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
PubChem CID10462740
Molecular FormulaC48H40O4P2
Molecular Weight742.79 g/mol
Exact Mass742.24
IUPAC Name[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H40O4P2/c1-49-35-15-23-39(24-16-35)53(40-25-17-36(50-2)18-26-40)45-31-13-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)14-32-46(48)54(41-27-19-37(51-3)20-28-41)42-29-21-38(52-4)22-30-42/h5-32H,1-4H3
InChIKeyVEYRFPIBBZGJTR-UHFFFAOYSA-N
XLogP9.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.79
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 159583139
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
CID 135084915
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905

Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane?
The IUPAC name of [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane (CID 10462740) is [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane.
What is the SMILES notation for [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane?
The canonical SMILES for [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane is COc1ccc(P(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1.
What is the InChIKey of [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane?
The InChIKey is VEYRFPIBBZGJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40O4P2/c1-49-35-15-23-39(24-16-35)53(40-25-17-36(50-2)18-26-40)45-31-13-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)14-32-46(48)54(41-27-19-37(51-3)20-28-41)42-29-21-38(52-4)22-30-42/h5-32H,1-4H3.
What are the key properties of [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane?
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane has a molecular weight of 742.79 g/mol, XLogP of 9.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane is sourced from PubChem (CID 10462740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).