4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)

C34H56P2 — CID 173264936

IUPAC4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)
SMILESC(C=Cc1ccccc1)=Cc1ccccc1.CCCP(CCC)CCC.CCCP(CCC)CCC
InChIInChI=1S/C16H14.2C9H21P/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;2*1-4-7-10(8-5-2)9-6-3/h1-14H;2*4-9H2,1-3H3
InChIKeyUBBYGNPWTWNPJU-UHFFFAOYSA-N
MW526.77 g/mol
LogP11.81
Rot. Bonds15

About 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)

4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane) (PubChem CID 173264936) has the molecular formula C34H56P2 and a molecular weight of 526.77 g/mol. Its IUPAC name is 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane).

Molecular Properties

Compound Name4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)
PubChem CID173264936
Molecular FormulaC34H56P2
Molecular Weight526.77 g/mol
Exact Mass526.39
IUPAC Name4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)
SMILESC(C=Cc1ccccc1)=Cc1ccccc1.CCCP(CCC)CCC.CCCP(CCC)CCC
InChIInChI=1S/C16H14.2C9H21P/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;2*1-4-7-10(8-5-2)9-6-3/h1-14H;2*4-9H2,1-3H3
InChIKeyUBBYGNPWTWNPJU-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.77
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
ethyl-dimethyl-[(1E,3E)-4-phenylbuta-1,3-dienyl]silane
CID 101476587
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine
CID 10608725
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
benzene;but-1-enylbenzene
CID 157481332
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
CID 11982546

Frequently Asked Questions

What is the IUPAC name of 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)?
The IUPAC name of 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane) (CID 173264936) is 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane).
What is the SMILES notation for 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)?
The canonical SMILES for 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane) is C(C=Cc1ccccc1)=Cc1ccccc1.CCCP(CCC)CCC.CCCP(CCC)CCC.
What is the InChIKey of 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)?
The InChIKey is UBBYGNPWTWNPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.2C9H21P/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;2*1-4-7-10(8-5-2)9-6-3/h1-14H;2*4-9H2,1-3H3.
What are the key properties of 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)?
4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane) has a molecular weight of 526.77 g/mol, XLogP of 11.81, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane) is sourced from PubChem (CID 173264936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).