2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane

C36H31OP — CID 70947771

IUPAC2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane
SMILESCC1CC(C)P1c1ccc2ccccc2c1-c1c(OCc2ccc3ccccc3c2)ccc2ccccc12
InChIInChI=1S/C36H31OP/c1-24-21-25(2)38(24)34-20-18-29-11-6-8-14-32(29)36(34)35-31-13-7-5-10-28(31)17-19-33(35)37-23-26-15-16-27-9-3-4-12-30(27)22-26/h3-20,22,24-25H,21,23H2,1-2H3
InChIKeyLFLOPSCDVQPNDG-UHFFFAOYSA-N
MW510.62 g/mol
LogP9.68
Rot. Bonds5

About 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane

2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane (PubChem CID 70947771) has the molecular formula C36H31OP and a molecular weight of 510.62 g/mol. Its IUPAC name is 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane.

Molecular Properties

Compound Name2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane
PubChem CID70947771
Molecular FormulaC36H31OP
Molecular Weight510.62 g/mol
Exact Mass510.21
IUPAC Name2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane
SMILESCC1CC(C)P1c1ccc2ccccc2c1-c1c(OCc2ccc3ccccc3c2)ccc2ccccc12
InChIInChI=1S/C36H31OP/c1-24-21-25(2)38(24)34-20-18-29-11-6-8-14-32(29)36(34)35-31-13-7-5-10-28(31)17-19-33(35)37-23-26-15-16-27-9-3-4-12-30(27)22-26/h3-20,22,24-25H,21,23H2,1-2H3
InChIKeyLFLOPSCDVQPNDG-UHFFFAOYSA-N
XLogP9.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane 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

1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562
CID 174310277
CID 174310277
2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane
CID 122215081
dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
CID 166896923
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane
CID 144537343
3-[(benzylamino)methyl]-1-[2-[[3-[[1-[3-[(benzylamino)methyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-ol
CID 122374363

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane?
The IUPAC name of 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane (CID 70947771) is 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane.
What is the SMILES notation for 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane?
The canonical SMILES for 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane is CC1CC(C)P1c1ccc2ccccc2c1-c1c(OCc2ccc3ccccc3c2)ccc2ccccc12.
What is the InChIKey of 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane?
The InChIKey is LFLOPSCDVQPNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31OP/c1-24-21-25(2)38(24)34-20-18-29-11-6-8-14-32(29)36(34)35-31-13-7-5-10-28(31)17-19-33(35)37-23-26-15-16-27-9-3-4-12-30(27)22-26/h3-20,22,24-25H,21,23H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane?
2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane has a molecular weight of 510.62 g/mol, XLogP of 9.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane is sourced from PubChem (CID 70947771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).