dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

C34H27P — CID 150846707

IUPACdibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESc1ccc(CP(Cc2ccccc2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H27P/c1-3-12-26(13-4-1)24-35(25-27-14-5-2-6-15-27)33-23-22-29-17-8-10-20-31(29)34(33)32-21-11-18-28-16-7-9-19-30(28)32/h1-23H,24-25H2
InChIKeyKPDRRMNFOYDHKF-UHFFFAOYSA-N
MW466.56 g/mol
LogP9.17
Rot. Bonds6

About dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (PubChem CID 150846707) has the molecular formula C34H27P and a molecular weight of 466.56 g/mol. Its IUPAC name is dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namedibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
PubChem CID150846707
Molecular FormulaC34H27P
Molecular Weight466.56 g/mol
Exact Mass466.19
IUPAC Namedibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESc1ccc(CP(Cc2ccccc2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H27P/c1-3-12-26(13-4-1)24-35(25-27-14-5-2-6-15-27)33-23-22-29-17-8-10-20-31(29)34(33)32-21-11-18-28-16-7-9-19-30(28)32/h1-23H,24-25H2
InChIKeyKPDRRMNFOYDHKF-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 59.17
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

bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 67216775
(1-naphthalen-1-ylnaphthalen-2-yl)-bis(prop-2-enyl)phosphane
CID 139726584
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765
(1-naphthalen-1-ylnaphthalen-2-yl)oxy-diphenylphosphane
CID 150565289
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 159583139
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The IUPAC name of dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (CID 150846707) is dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.
What is the SMILES notation for dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The canonical SMILES for dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is c1ccc(CP(Cc2ccccc2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.
What is the InChIKey of dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The InChIKey is KPDRRMNFOYDHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27P/c1-3-12-26(13-4-1)24-35(25-27-14-5-2-6-15-27)33-23-22-29-17-8-10-20-31(29)34(33)32-21-11-18-28-16-7-9-19-30(28)32/h1-23H,24-25H2.
What are the key properties of dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane has a molecular weight of 466.56 g/mol, XLogP of 9.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 150846707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).