dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane

C39H41OP — CID 23421218

IUPACdicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESc1ccc(COc2ccc3ccccc3c2-c2c(P(C3CCCCC3)C3CCCCC3)ccc3ccccc23)cc1
InChIInChI=1S/C39H41OP/c1-4-14-29(15-5-1)28-40-36-26-24-30-16-10-12-22-34(30)38(36)39-35-23-13-11-17-31(35)25-27-37(39)41(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1,4-5,10-17,22-27,32-33H,2-3,6-9,18-21,28H2
InChIKeyPQJLQJHNAVCHEJ-UHFFFAOYSA-N
MW556.73 g/mol
LogP11.01
Rot. Bonds7

About dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane

dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane (PubChem CID 23421218) has the molecular formula C39H41OP and a molecular weight of 556.73 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
PubChem CID23421218
Molecular FormulaC39H41OP
Molecular Weight556.73 g/mol
Exact Mass556.29
IUPAC Namedicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESc1ccc(COc2ccc3ccccc3c2-c2c(P(C3CCCCC3)C3CCCCC3)ccc3ccccc23)cc1
InChIInChI=1S/C39H41OP/c1-4-14-29(15-5-1)28-40-36-26-24-30-16-10-12-22-34(30)38(36)39-35-23-13-11-17-31(35)25-27-37(39)41(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1,4-5,10-17,22-27,32-33H,2-3,6-9,18-21,28H2
InChIKeyPQJLQJHNAVCHEJ-UHFFFAOYSA-N
XLogP11.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.73
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 23421226
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N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
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dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 118856545
2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
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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
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CID 11227562
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane
CID 90110048
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane
CID 22439942
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The IUPAC name of dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane (CID 23421218) is dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane is c1ccc(COc2ccc3ccccc3c2-c2c(P(C3CCCCC3)C3CCCCC3)ccc3ccccc23)cc1.
What is the InChIKey of dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The InChIKey is PQJLQJHNAVCHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41OP/c1-4-14-29(15-5-1)28-40-36-26-24-30-16-10-12-22-34(30)38(36)39-35-23-13-11-17-31(35)25-27-37(39)41(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1,4-5,10-17,22-27,32-33H,2-3,6-9,18-21,28H2.
What are the key properties of dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane has a molecular weight of 556.73 g/mol, XLogP of 11.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 23421218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).