[1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane

C38H30N3P — CID 122452508

IUPAC[1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane
SMILESCP(c1ccccc1)c1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccncc1
InChIInChI=1S/C38H30N3P/c1-42(32-18-9-4-10-19-32)34-22-21-29-13-11-12-20-33(29)35(34)38-40-36(30-14-5-2-6-15-30)37(31-16-7-3-8-17-31)41(38)27-28-23-25-39-26-24-28/h2-26H,27H2,1H3
InChIKeyWRYODMFKLRWEGJ-UHFFFAOYSA-N
MW559.65 g/mol
LogP8.54
Rot. Bonds7

About [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane

[1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane (PubChem CID 122452508) has the molecular formula C38H30N3P and a molecular weight of 559.65 g/mol. Its IUPAC name is [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane.

Molecular Properties

Compound Name[1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane
PubChem CID122452508
Molecular FormulaC38H30N3P
Molecular Weight559.65 g/mol
Exact Mass559.22
IUPAC Name[1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane
SMILESCP(c1ccccc1)c1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccncc1
InChIInChI=1S/C38H30N3P/c1-42(32-18-9-4-10-19-32)34-22-21-29-13-11-12-20-33(29)35(34)38-40-36(30-14-5-2-6-15-30)37(31-16-7-3-8-17-31)41(38)27-28-23-25-39-26-24-28/h2-26H,27H2,1H3
InChIKeyWRYODMFKLRWEGJ-UHFFFAOYSA-N
XLogP8.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.65
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
CID 139218774
[5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane
CID 123686310
2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole
CID 134590299
3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
CID 11014921
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
CID 134953177
4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine
CID 67239480
2-(1-benzyl-2-phenylindol-3-yl)quinoline
CID 101487499
N,1-dibenzyl-4,5-diphenylimidazol-2-amine
CID 66561407
2-iodo-1-(pyridin-4-ylmethyl)indole
CID 145189554
9-benzyl-3-(2,6-dipyridin-4-yl-4-pyridinyl)carbazole
CID 138115736

Frequently Asked Questions

What is the IUPAC name of [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane?
The IUPAC name of [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane (CID 122452508) is [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane.
What is the SMILES notation for [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane?
The canonical SMILES for [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane is CP(c1ccccc1)c1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccncc1.
What is the InChIKey of [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane?
The InChIKey is WRYODMFKLRWEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N3P/c1-42(32-18-9-4-10-19-32)34-22-21-29-13-11-12-20-33(29)35(34)38-40-36(30-14-5-2-6-15-30)37(31-16-7-3-8-17-31)41(38)27-28-23-25-39-26-24-28/h2-26H,27H2,1H3.
What are the key properties of [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane?
[1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane has a molecular weight of 559.65 g/mol, XLogP of 8.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane is sourced from PubChem (CID 122452508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).