dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane

C46H60P2 — CID 20606205

IUPACdicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
SMILESCc1cc2ccccc2c(-c2c(P(C3CCCCC3)C3CCCCC3)c(C)cc3ccccc23)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C46H60P2/c1-33-31-35-19-15-17-29-41(35)43(45(33)47(37-21-7-3-8-22-37)38-23-9-4-10-24-38)44-42-30-18-16-20-36(42)32-34(2)46(44)48(39-25-11-5-12-26-39)40-27-13-6-14-28-40/h15-20,29-32,37-40H,3-14,21-28H2,1-2H3
InChIKeyZIVVQWWOAHTSSA-UHFFFAOYSA-N
MW674.93 g/mol
LogP13.82
Rot. Bonds7

About dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane

dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane (PubChem CID 20606205) has the molecular formula C46H60P2 and a molecular weight of 674.93 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
PubChem CID20606205
Molecular FormulaC46H60P2
Molecular Weight674.93 g/mol
Exact Mass674.42
IUPAC Namedicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
SMILESCc1cc2ccccc2c(-c2c(P(C3CCCCC3)C3CCCCC3)c(C)cc3ccccc23)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C46H60P2/c1-33-31-35-19-15-17-29-41(35)43(45(33)47(37-21-7-3-8-22-37)38-23-9-4-10-24-38)44-42-30-18-16-20-36(42)32-34(2)46(44)48(39-25-11-5-12-26-39)40-27-13-6-14-28-40/h15-20,29-32,37-40H,3-14,21-28H2,1-2H3
InChIKeyZIVVQWWOAHTSSA-UHFFFAOYSA-N
XLogP13.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.93
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691
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CID 22439942
[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane
CID 10190388
[1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane
CID 23221330
di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane
CID 90110048
10,16-dimethylspiro[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,1'-azepan-1-ium]
CID 58321081
dicyclohexyl-[3-dicyclohexylphosphanyl-4,6-bis[2,6-dimethoxy-3,5-bis(2-methylphenyl)phenyl]-2-propan-2-yloxyphenyl]phosphane
CID 166514583
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
CID 11250875
dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane
CID 58500391
[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
CID 10305313
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
CID 23179241
dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane
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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane?
The IUPAC name of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane (CID 20606205) is dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane is Cc1cc2ccccc2c(-c2c(P(C3CCCCC3)C3CCCCC3)c(C)cc3ccccc23)c1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane?
The InChIKey is ZIVVQWWOAHTSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60P2/c1-33-31-35-19-15-17-29-41(35)43(45(33)47(37-21-7-3-8-22-37)38-23-9-4-10-24-38)44-42-30-18-16-20-36(42)32-34(2)46(44)48(39-25-11-5-12-26-39)40-27-13-6-14-28-40/h15-20,29-32,37-40H,3-14,21-28H2,1-2H3.
What are the key properties of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane?
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane has a molecular weight of 674.93 g/mol, XLogP of 13.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane is sourced from PubChem (CID 20606205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).