tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane

C54H39P — CID 58942119

IUPACtris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
SMILESC(=C/c1ccc2ccccc2c1)\c1ccc(P(c2ccc(/C=C/c3ccc4ccccc4c3)cc2)c2ccc(/C=C/c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H39P/c1-4-10-49-37-43(19-28-46(49)7-1)16-13-40-22-31-52(32-23-40)55(53-33-24-41(25-34-53)14-17-44-20-29-47-8-2-5-11-50(47)38-44)54-35-26-42(27-36-54)15-18-45-21-30-48-9-3-6-12-51(48)39-45/h1-39H/b16-13+,17-14+,18-15+
InChIKeyHBIMXLMIZLUZCY-NLCRRHETSA-N
MW718.88 g/mol
LogP13.42
Rot. Bonds9

About tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane

tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane (PubChem CID 58942119) has the molecular formula C54H39P and a molecular weight of 718.88 g/mol. Its IUPAC name is tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane.

Molecular Properties

Compound Nametris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
PubChem CID58942119
Molecular FormulaC54H39P
Molecular Weight718.88 g/mol
Exact Mass718.28
IUPAC Nametris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
SMILESC(=C/c1ccc2ccccc2c1)\c1ccc(P(c2ccc(/C=C/c3ccc4ccccc4c3)cc2)c2ccc(/C=C/c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H39P/c1-4-10-49-37-43(19-28-46(49)7-1)16-13-40-22-31-52(32-23-40)55(53-33-24-41(25-34-53)14-17-44-20-29-47-8-2-5-11-50(47)38-44)54-35-26-42(27-36-54)15-18-45-21-30-48-9-3-6-12-51(48)39-45/h1-39H/b16-13+,17-14+,18-15+
InChIKeyHBIMXLMIZLUZCY-NLCRRHETSA-N
XLogP13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.88
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
[4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane
CID 102073686
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
2-(6-phenylhexa-1,3,5-trienyl)naphthalene
CID 2818391
sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate
CID 67392194
2-naphthalen-2-ylethenol
CID 67195423
tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane
CID 59742138
naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
CID 72565674
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641

Frequently Asked Questions

What is the IUPAC name of tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane?
The IUPAC name of tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane (CID 58942119) is tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane.
What is the SMILES notation for tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane?
The canonical SMILES for tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane is C(=C/c1ccc2ccccc2c1)\c1ccc(P(c2ccc(/C=C/c3ccc4ccccc4c3)cc2)c2ccc(/C=C/c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane?
The InChIKey is HBIMXLMIZLUZCY-NLCRRHETSA-N. The full InChI is InChI=1S/C54H39P/c1-4-10-49-37-43(19-28-46(49)7-1)16-13-40-22-31-52(32-23-40)55(53-33-24-41(25-34-53)14-17-44-20-29-47-8-2-5-11-50(47)38-44)54-35-26-42(27-36-54)15-18-45-21-30-48-9-3-6-12-51(48)39-45/h1-39H/b16-13+,17-14+,18-15+.
What are the key properties of tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane?
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane has a molecular weight of 718.88 g/mol, XLogP of 13.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane is sourced from PubChem (CID 58942119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).