[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane

C28H21Cl2P — CID 53236008

IUPAC[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane
SMILESCc1ccc2ccccc2c1-c1cccc(-c2c(C)ccc3ccccc23)c1P(Cl)Cl
InChIInChI=1S/C28H21Cl2P/c1-18-14-16-20-8-3-5-10-22(20)26(18)24-12-7-13-25(28(24)31(29)30)27-19(2)15-17-21-9-4-6-11-23(21)27/h3-17H,1-2H3
InChIKeyXJEFTFWIOWKBIL-UHFFFAOYSA-N
MW459.36 g/mol
LogP9.36
Rot. Bonds3

About [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane

[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane (PubChem CID 53236008) has the molecular formula C28H21Cl2P and a molecular weight of 459.36 g/mol. Its IUPAC name is [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane.

Molecular Properties

Compound Name[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane
PubChem CID53236008
Molecular FormulaC28H21Cl2P
Molecular Weight459.36 g/mol
Exact Mass458.08
IUPAC Name[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane
SMILESCc1ccc2ccccc2c1-c1cccc(-c2c(C)ccc3ccccc23)c1P(Cl)Cl
InChIInChI=1S/C28H21Cl2P/c1-18-14-16-20-8-3-5-10-22(20)26(18)24-12-7-13-25(28(24)31(29)30)27-19(2)15-17-21-9-4-6-11-23(21)27/h3-17H,1-2H3
InChIKeyXJEFTFWIOWKBIL-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.36
LogP ≤ 59.36
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-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
2-(2-methylnaphthalen-1-yl)benzonitrile
CID 15858394
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
CID 172999052
1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
CID 146211188
1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane?
The IUPAC name of [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane (CID 53236008) is [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane.
What is the SMILES notation for [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane?
The canonical SMILES for [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane is Cc1ccc2ccccc2c1-c1cccc(-c2c(C)ccc3ccccc23)c1P(Cl)Cl.
What is the InChIKey of [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane?
The InChIKey is XJEFTFWIOWKBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2P/c1-18-14-16-20-8-3-5-10-22(20)26(18)24-12-7-13-25(28(24)31(29)30)27-19(2)15-17-21-9-4-6-11-23(21)27/h3-17H,1-2H3.
What are the key properties of [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane?
[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane has a molecular weight of 459.36 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane is sourced from PubChem (CID 53236008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).