bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

C34H27P — CID 22399765

IUPACbis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESCc1cccc(P(c2cccc(C)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)c1
InChIInChI=1S/C34H27P/c1-24-10-7-15-28(22-24)35(29-16-8-11-25(2)23-29)33-21-20-27-13-4-6-18-31(27)34(33)32-19-9-14-26-12-3-5-17-30(26)32/h3-23H,1-2H3
InChIKeyRMMMCRZAMIKJAQ-UHFFFAOYSA-N
MW466.56 g/mol
LogP8.04
Rot. Bonds4

About bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (PubChem CID 22399765) has the molecular formula C34H27P and a molecular weight of 466.56 g/mol. Its IUPAC name is bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namebis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
PubChem CID22399765
Molecular FormulaC34H27P
Molecular Weight466.56 g/mol
Exact Mass466.19
IUPAC Namebis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESCc1cccc(P(c2cccc(C)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)c1
InChIInChI=1S/C34H27P/c1-24-10-7-15-28(22-24)35(29-16-8-11-25(2)23-29)33-21-20-27-13-4-6-18-31(27)34(33)32-19-9-14-26-12-3-5-17-30(26)32/h3-23H,1-2H3
InChIKeyRMMMCRZAMIKJAQ-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The IUPAC name of bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (CID 22399765) is bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.
What is the SMILES notation for bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The canonical SMILES for bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is Cc1cccc(P(c2cccc(C)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)c1.
What is the InChIKey of bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The InChIKey is RMMMCRZAMIKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27P/c1-24-10-7-15-28(22-24)35(29-16-8-11-25(2)23-29)33-21-20-27-13-4-6-18-31(27)34(33)32-19-9-14-26-12-3-5-17-30(26)32/h3-23H,1-2H3.
What are the key properties of bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane has a molecular weight of 466.56 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 22399765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).