1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene

C32H24O2 — CID 123131889

IUPAC1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene
SMILESCOc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2c1ccc1ccccc12
InChIInChI=1S/C32H24O2/c1-33-29-19-16-24-12-6-8-14-26(24)31(29)32-28-17-15-23-11-5-7-13-25(23)27(28)18-20-30(32)34-21-22-9-3-2-4-10-22/h2-20H,21H2,1H3
InChIKeyXSKXTEUIUAXHLX-UHFFFAOYSA-N
MW440.54 g/mol
LogP8.40
Rot. Bonds5

About 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene

1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene (PubChem CID 123131889) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene
PubChem CID123131889
Molecular FormulaC32H24O2
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Name1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene
SMILESCOc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2c1ccc1ccccc12
InChIInChI=1S/C32H24O2/c1-33-29-19-16-24-12-6-8-14-26(24)31(29)32-28-17-15-23-11-5-7-13-25(23)27(28)18-20-30(32)34-21-22-9-3-2-4-10-22/h2-20H,21H2,1H3
InChIKeyXSKXTEUIUAXHLX-UHFFFAOYSA-N
XLogP8.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene (CID 123131889) is 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene is COc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2c1ccc1ccccc12.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene?
The InChIKey is XSKXTEUIUAXHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O2/c1-33-29-19-16-24-12-6-8-14-26(24)31(29)32-28-17-15-23-11-5-7-13-25(23)27(28)18-20-30(32)34-21-22-9-3-2-4-10-22/h2-20H,21H2,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene?
1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene has a molecular weight of 440.54 g/mol, XLogP of 8.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-2-phenylmethoxyphenanthrene is sourced from PubChem (CID 123131889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).