methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane

C50H50P2 — CID 157383217

IUPACmethyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane
SMILESCc1cc2ccccc2cc1CP(C)Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1CP(C)Cc1cc2ccccc2cc1C
InChIInChI=1S/2C25H25P/c2*1-18-12-20-8-4-6-10-22(20)14-24(18)16-26(3)17-25-15-23-11-7-5-9-21(23)13-19(25)2/h2*4-15H,16-17H2,1-3H3
InChIKeyBLDABDFFNNOZQF-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.84
Rot. Bonds8

About methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane

methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane (PubChem CID 157383217) has the molecular formula C50H50P2 and a molecular weight of 712.90 g/mol. Its IUPAC name is methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane.

Molecular Properties

Compound Namemethyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane
PubChem CID157383217
Molecular FormulaC50H50P2
Molecular Weight712.90 g/mol
Exact Mass712.34
IUPAC Namemethyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane
SMILESCc1cc2ccccc2cc1CP(C)Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1CP(C)Cc1cc2ccccc2cc1C
InChIInChI=1S/2C25H25P/c2*1-18-12-20-8-4-6-10-22(20)14-24(18)16-26(3)17-25-15-23-11-7-5-9-21(23)13-19(25)2/h2*4-15H,16-17H2,1-3H3
InChIKeyBLDABDFFNNOZQF-UHFFFAOYSA-N
XLogP14.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.84
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 methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane?
The IUPAC name of methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane (CID 157383217) is methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane.
What is the SMILES notation for methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane?
The canonical SMILES for methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane is Cc1cc2ccccc2cc1CP(C)Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1CP(C)Cc1cc2ccccc2cc1C.
What is the InChIKey of methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane?
The InChIKey is BLDABDFFNNOZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25P/c2*1-18-12-20-8-4-6-10-22(20)14-24(18)16-26(3)17-25-15-23-11-7-5-9-21(23)13-19(25)2/h2*4-15H,16-17H2,1-3H3.
What are the key properties of methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane?
methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane has a molecular weight of 712.90 g/mol, XLogP of 14.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane is sourced from PubChem (CID 157383217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).