di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane

C26H34P2 — CID 90110048

IUPACdi(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane
SMILESc1ccc2c(P(C3CCC3)C3CCC3)c(P(C3CCC3)C3CCC3)ccc2c1
InChIInChI=1S/C26H34P2/c1-2-16-24-19(7-1)17-18-25(27(20-8-3-9-20)21-10-4-11-21)26(24)28(22-12-5-13-22)23-14-6-15-23/h1-2,7,16-18,20-23H,3-6,8-15H2
InChIKeyNNTYBDLXGCUJIC-UHFFFAOYSA-N
MW408.51 g/mol
LogP7.26
Rot. Bonds6

About di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane

di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane (PubChem CID 90110048) has the molecular formula C26H34P2 and a molecular weight of 408.51 g/mol. Its IUPAC name is di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane.

Molecular Properties

Compound Namedi(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane
PubChem CID90110048
Molecular FormulaC26H34P2
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Namedi(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane
SMILESc1ccc2c(P(C3CCC3)C3CCC3)c(P(C3CCC3)C3CCC3)ccc2c1
InChIInChI=1S/C26H34P2/c1-2-16-24-19(7-1)17-18-25(27(20-8-3-9-20)21-10-4-11-21)26(24)28(22-12-5-13-22)23-14-6-15-23/h1-2,7,16-18,20-23H,3-6,8-15H2
InChIKeyNNTYBDLXGCUJIC-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 57.26
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 di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane?
The IUPAC name of di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane (CID 90110048) is di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane.
What is the SMILES notation for di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane?
The canonical SMILES for di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane is c1ccc2c(P(C3CCC3)C3CCC3)c(P(C3CCC3)C3CCC3)ccc2c1.
What is the InChIKey of di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane?
The InChIKey is NNTYBDLXGCUJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34P2/c1-2-16-24-19(7-1)17-18-25(27(20-8-3-9-20)21-10-4-11-21)26(24)28(22-12-5-13-22)23-14-6-15-23/h1-2,7,16-18,20-23H,3-6,8-15H2.
What are the key properties of di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane?
di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane has a molecular weight of 408.51 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane is sourced from PubChem (CID 90110048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).