[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

C33H25P — CID 21335175

IUPAC[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H25P/c1-24-20-21-25-12-8-10-18-29(25)32(24)33-30-19-11-9-13-26(30)22-23-31(33)34(27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-23H,1H3
InChIKeyZBIBHTIPNJBQML-UHFFFAOYSA-N
MW452.54 g/mol
LogP7.73
Rot. Bonds4

About [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 21335175) has the molecular formula C33H25P and a molecular weight of 452.54 g/mol. Its IUPAC name is [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
PubChem CID21335175
Molecular FormulaC33H25P
Molecular Weight452.54 g/mol
Exact Mass452.17
IUPAC Name[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H25P/c1-24-20-21-25-12-8-10-18-29(25)32(24)33-30-19-11-9-13-26(30)22-23-31(33)34(27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-23H,1H3
InChIKeyZBIBHTIPNJBQML-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (CID 21335175) is [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is Cc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The InChIKey is ZBIBHTIPNJBQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25P/c1-24-20-21-25-12-8-10-18-29(25)32(24)33-30-19-11-9-13-26(30)22-23-31(33)34(27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-23H,1H3.
What are the key properties of [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 452.54 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 21335175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).