[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane

C35H37OP — CID 155147385

IUPAC[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESCOc1c(C(C)(C)C)cc(-c2ccc3ccccc3c2-c2c(P)ccc3ccccc23)cc1C(C)(C)C
InChIInChI=1S/C35H37OP/c1-34(2,3)28-20-24(21-29(33(28)36-7)35(4,5)6)27-18-16-22-12-8-10-14-25(22)31(27)32-26-15-11-9-13-23(26)17-19-30(32)37/h8-21H,37H2,1-7H3
InChIKeyJXGWHBIJTLOMRC-UHFFFAOYSA-N
MW504.65 g/mol
LogP9.43
Rot. Bonds3

About [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane

[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane (PubChem CID 155147385) has the molecular formula C35H37OP and a molecular weight of 504.65 g/mol. Its IUPAC name is [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane.

Molecular Properties

Compound Name[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane
PubChem CID155147385
Molecular FormulaC35H37OP
Molecular Weight504.65 g/mol
Exact Mass504.26
IUPAC Name[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESCOc1c(C(C)(C)C)cc(-c2ccc3ccccc3c2-c2c(P)ccc3ccccc23)cc1C(C)(C)C
InChIInChI=1S/C35H37OP/c1-34(2,3)28-20-24(21-29(33(28)36-7)35(4,5)6)27-18-16-22-12-8-10-14-25(22)31(27)32-26-15-11-9-13-23(26)17-19-30(32)37/h8-21H,37H2,1-7H3
InChIKeyJXGWHBIJTLOMRC-UHFFFAOYSA-N
XLogP9.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
The IUPAC name of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane (CID 155147385) is [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane.
What is the SMILES notation for [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
The canonical SMILES for [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane is COc1c(C(C)(C)C)cc(-c2ccc3ccccc3c2-c2c(P)ccc3ccccc23)cc1C(C)(C)C.
What is the InChIKey of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
The InChIKey is JXGWHBIJTLOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37OP/c1-34(2,3)28-20-24(21-29(33(28)36-7)35(4,5)6)27-18-16-22-12-8-10-14-25(22)31(27)32-26-15-11-9-13-23(26)17-19-30(32)37/h8-21H,37H2,1-7H3.
What are the key properties of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane has a molecular weight of 504.65 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane is sourced from PubChem (CID 155147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).