1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene

C46H36O4P2 — CID 46939365

IUPAC1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
SMILESCOc1cccc([P@](=O)(c2ccccc2)c2cccc3ccccc23)c1-c1c(OC)cccc1[P@](=O)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C46H36O4P2/c1-49-39-27-15-31-43(51(47,35-21-5-3-6-22-35)41-29-13-19-33-17-9-11-25-37(33)41)45(39)46-40(50-2)28-16-32-44(46)52(48,36-23-7-4-8-24-36)42-30-14-20-34-18-10-12-26-38(34)42/h3-32H,1-2H3/t51-,52-/m0/s1
InChIKeyCMOUUIVABGWECX-XWQGWOARSA-N
MW714.74 g/mol
LogP8.96
Rot. Bonds9

About 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene

1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene (PubChem CID 46939365) has the molecular formula C46H36O4P2 and a molecular weight of 714.74 g/mol. Its IUPAC name is 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene.

Molecular Properties

Compound Name1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
PubChem CID46939365
Molecular FormulaC46H36O4P2
Molecular Weight714.74 g/mol
Exact Mass714.21
IUPAC Name1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
SMILESCOc1cccc([P@](=O)(c2ccccc2)c2cccc3ccccc23)c1-c1c(OC)cccc1[P@](=O)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C46H36O4P2/c1-49-39-27-15-31-43(51(47,35-21-5-3-6-22-35)41-29-13-19-33-17-9-11-25-37(33)41)45(39)46-40(50-2)28-16-32-44(46)52(48,36-23-7-4-8-24-36)42-30-14-20-34-18-10-12-26-38(34)42/h3-32H,1-2H3/t51-,52-/m0/s1
InChIKeyCMOUUIVABGWECX-XWQGWOARSA-N
XLogP8.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.74
LogP ≤ 58.96
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-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
CID 11151842
1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 153323496
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene
CID 19437372
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
CID 139840135
2-diphenylphosphoryl-6-methoxy-N-propylaniline
CID 175667588

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
The IUPAC name of 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene (CID 46939365) is 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene.
What is the SMILES notation for 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
The canonical SMILES for 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene is COc1cccc([P@](=O)(c2ccccc2)c2cccc3ccccc23)c1-c1c(OC)cccc1[P@](=O)(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
The InChIKey is CMOUUIVABGWECX-XWQGWOARSA-N. The full InChI is InChI=1S/C46H36O4P2/c1-49-39-27-15-31-43(51(47,35-21-5-3-6-22-35)41-29-13-19-33-17-9-11-25-37(33)41)45(39)46-40(50-2)28-16-32-44(46)52(48,36-23-7-4-8-24-36)42-30-14-20-34-18-10-12-26-38(34)42/h3-32H,1-2H3/t51-,52-/m0/s1.
What are the key properties of 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene has a molecular weight of 714.74 g/mol, XLogP of 8.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene is sourced from PubChem (CID 46939365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).