[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane

C35H29P — CID 159069423

IUPAC[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
SMILESCCc1ccc2ccccc2c1-c1c(CP(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C35H29P/c1-2-26-21-22-27-13-9-11-19-32(27)34(26)35-29(24-23-28-14-10-12-20-33(28)35)25-36(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3-24H,2,25H2,1H3
InChIKeyCDUBHSQBZIEXRX-UHFFFAOYSA-N
MW480.59 g/mol
LogP8.86
Rot. Bonds6

About [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane

[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane (PubChem CID 159069423) has the molecular formula C35H29P and a molecular weight of 480.59 g/mol. Its IUPAC name is [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
PubChem CID159069423
Molecular FormulaC35H29P
Molecular Weight480.59 g/mol
Exact Mass480.20
IUPAC Name[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
SMILESCCc1ccc2ccccc2c1-c1c(CP(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C35H29P/c1-2-26-21-22-27-13-9-11-19-32(27)34(26)35-29(24-23-28-14-10-12-20-33(28)35)25-36(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3-24H,2,25H2,1H3
InChIKeyCDUBHSQBZIEXRX-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 58.86
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

[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
CID 20820573
[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane
CID 100943233
tetrasodium;3-[[1-[2-[bis(3-sulfonatophenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate
CID 11105117
[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
CID 10305313
[1-[2-(diphenylphosphanylmethyl)-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-yl]methyl-diphenylphosphane;tetrakis(2-ethyl-1-(2-ethyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalene)
CID 162119112
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
CID 11754993
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
1-[2-[ethyl(phenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-ol
CID 102477574
CID 173411630
CID 173411630
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
CID 69106852
CID 69106852

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane?
The IUPAC name of [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane (CID 159069423) is [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane is CCc1ccc2ccccc2c1-c1c(CP(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane?
The InChIKey is CDUBHSQBZIEXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29P/c1-2-26-21-22-27-13-9-11-19-32(27)34(26)35-29(24-23-28-14-10-12-20-33(28)35)25-36(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3-24H,2,25H2,1H3.
What are the key properties of [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane?
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane has a molecular weight of 480.59 g/mol, XLogP of 8.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 159069423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).