1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene

C34H27OP — CID 11754993

IUPAC1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C34H27OP/c1-2-25-21-22-26-13-9-11-19-30(26)33(25)34-31-20-12-10-14-27(31)23-24-32(34)36(35,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-24H,2H2,1H3
InChIKeyYIVJHLVLOKOIQO-UHFFFAOYSA-N
MW482.56 g/mol
LogP7.86
Rot. Bonds5

About 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene

1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene (PubChem CID 11754993) has the molecular formula C34H27OP and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene.

Molecular Properties

Compound Name1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
PubChem CID11754993
Molecular FormulaC34H27OP
Molecular Weight482.56 g/mol
Exact Mass482.18
IUPAC Name1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C34H27OP/c1-2-25-21-22-26-13-9-11-19-30(26)33(25)34-31-20-12-10-14-27(31)23-24-32(34)36(35,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-24H,2H2,1H3
InChIKeyYIVJHLVLOKOIQO-UHFFFAOYSA-N
XLogP7.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol
CID 54257520
2-diphenylphosphoryl-1-methylnaphthalene
CID 150613039
1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline
CID 54170219
2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene
CID 10952532
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
CID 139840135
9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
CID 163479124
2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
CID 20606068
1-diphenylphosphorylnaphthalene
CID 11023927
1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 10459654
2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole
CID 134590299
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene?
The IUPAC name of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene (CID 11754993) is 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene.
What is the SMILES notation for 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene?
The canonical SMILES for 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene is CCc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene?
The InChIKey is YIVJHLVLOKOIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27OP/c1-2-25-21-22-26-13-9-11-19-30(26)33(25)34-31-20-12-10-14-27(31)23-24-32(34)36(35,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-24H,2H2,1H3.
What are the key properties of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene?
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene has a molecular weight of 482.56 g/mol, XLogP of 7.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene is sourced from PubChem (CID 11754993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).