1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene

C44H32O2P2 — CID 58982863

IUPAC1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
SMILESO=P(c1ccccc1)(c1ccc(-c2ccc(P(=O)(c3ccccc3)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C44H32O2P2/c45-47(37-17-3-1-4-18-37,43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)48(46,38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32H
InChIKeyJLKPOVHVCLJAGB-UHFFFAOYSA-N
MW654.69 g/mol
LogP8.94
Rot. Bonds7

About 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene

1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene (PubChem CID 58982863) has the molecular formula C44H32O2P2 and a molecular weight of 654.69 g/mol. Its IUPAC name is 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene.

Molecular Properties

Compound Name1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
PubChem CID58982863
Molecular FormulaC44H32O2P2
Molecular Weight654.69 g/mol
Exact Mass654.19
IUPAC Name1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
SMILESO=P(c1ccccc1)(c1ccc(-c2ccc(P(=O)(c3ccccc3)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C44H32O2P2/c45-47(37-17-3-1-4-18-37,43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)48(46,38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32H
InChIKeyJLKPOVHVCLJAGB-UHFFFAOYSA-N
XLogP8.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.69
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 118672844
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 159396238
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 153323496
3-diphenylphosphorylphenanthrene
CID 170944174
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
The IUPAC name of 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene (CID 58982863) is 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene.
What is the SMILES notation for 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
The canonical SMILES for 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene is O=P(c1ccccc1)(c1ccc(-c2ccc(P(=O)(c3ccccc3)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12.
What is the InChIKey of 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
The InChIKey is JLKPOVHVCLJAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O2P2/c45-47(37-17-3-1-4-18-37,43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)48(46,38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32H.
What are the key properties of 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene?
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene has a molecular weight of 654.69 g/mol, XLogP of 8.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene is sourced from PubChem (CID 58982863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).