bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

C28H31P — CID 67216775

IUPACbis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESCC(C)CP(CC(C)C)c1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C28H31P/c1-20(2)18-29(19-21(3)4)27-17-16-23-11-6-8-14-25(23)28(27)26-15-9-12-22-10-5-7-13-24(22)26/h5-17,20-21H,18-19H2,1-4H3
InChIKeyODJVGFAJQIZQAG-UHFFFAOYSA-N
MW398.53 g/mol
LogP8.08
Rot. Bonds6

About bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (PubChem CID 67216775) has the molecular formula C28H31P and a molecular weight of 398.53 g/mol. Its IUPAC name is bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namebis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
PubChem CID67216775
Molecular FormulaC28H31P
Molecular Weight398.53 g/mol
Exact Mass398.22
IUPAC Namebis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESCC(C)CP(CC(C)C)c1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C28H31P/c1-20(2)18-29(19-21(3)4)27-17-16-23-11-6-8-14-25(23)28(27)26-15-9-12-22-10-5-7-13-24(22)26/h5-17,20-21H,18-19H2,1-4H3
InChIKeyODJVGFAJQIZQAG-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-naphthalen-1-ylnaphthalen-2-yl)-bis(prop-2-enyl)phosphane
CID 139726584
dibenzyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 150846707
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 159583139
CID 177483660
CID 177483660
9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
CID 168720021
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
N,N-bis(2-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774492
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The IUPAC name of bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (CID 67216775) is bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.
What is the SMILES notation for bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The canonical SMILES for bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is CC(C)CP(CC(C)C)c1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The InChIKey is ODJVGFAJQIZQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31P/c1-20(2)18-29(19-21(3)4)27-17-16-23-11-6-8-14-25(23)28(27)26-15-9-12-22-10-5-7-13-24(22)26/h5-17,20-21H,18-19H2,1-4H3.
What are the key properties of bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane has a molecular weight of 398.53 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 67216775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).