ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane

C46H64P2 — CID 159820370

IUPACethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane
SMILESCC.CC.CC.CC.CC.CC.c1ccc(PCc2ccc3ccccc3c2-c2c(CPc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C34H28P2.6C2H6/c1-3-13-29(14-4-1)35-23-27-21-19-25-11-7-9-17-31(25)33(27)34-28(24-36-30-15-5-2-6-16-30)22-20-26-12-8-10-18-32(26)34;6*1-2/h1-22,35-36H,23-24H2;6*1-2H3
InChIKeyNMDRJVLEUFFFIE-UHFFFAOYSA-N
MW678.97 g/mol
LogP14.83
Rot. Bonds7

About ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane

ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane (PubChem CID 159820370) has the molecular formula C46H64P2 and a molecular weight of 678.97 g/mol. Its IUPAC name is ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane.

Molecular Properties

Compound Nameethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane
PubChem CID159820370
Molecular FormulaC46H64P2
Molecular Weight678.97 g/mol
Exact Mass678.45
IUPAC Nameethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane
SMILESCC.CC.CC.CC.CC.CC.c1ccc(PCc2ccc3ccccc3c2-c2c(CPc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C34H28P2.6C2H6/c1-3-13-29(14-4-1)35-23-27-21-19-25-11-7-9-17-31(25)33(27)34-28(24-36-30-15-5-2-6-16-30)22-20-26-12-8-10-18-32(26)34;6*1-2/h1-22,35-36H,23-24H2;6*1-2H3
InChIKeyNMDRJVLEUFFFIE-UHFFFAOYSA-N
XLogP14.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.97
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane
CID 21335479
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
1-phenyl-2-propylnaphthalene
CID 102463751
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623
2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene
CID 10952532
butane;chrysene;ethane
CID 143984277
methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 20805112

Frequently Asked Questions

What is the IUPAC name of ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane?
The IUPAC name of ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane (CID 159820370) is ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane.
What is the SMILES notation for ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane?
The canonical SMILES for ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane is CC.CC.CC.CC.CC.CC.c1ccc(PCc2ccc3ccccc3c2-c2c(CPc3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane?
The InChIKey is NMDRJVLEUFFFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28P2.6C2H6/c1-3-13-29(14-4-1)35-23-27-21-19-25-11-7-9-17-31(25)33(27)34-28(24-36-30-15-5-2-6-16-30)22-20-26-12-8-10-18-32(26)34;6*1-2/h1-22,35-36H,23-24H2;6*1-2H3.
What are the key properties of ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane?
ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane has a molecular weight of 678.97 g/mol, XLogP of 14.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane is sourced from PubChem (CID 159820370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).