cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane

C30H26OP2 — CID 167215874

IUPACcyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
SMILESC1=CC(P(c2ccccc2)c2ccccc2Oc2ccccc2Pc2ccccc2)=CCC1
InChIInChI=1S/C30H26OP2/c1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-2,4-8,10-23,32H,3,9H2
InChIKeyQYOWAKQOQVQSPN-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.77
Rot. Bonds7

About cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane

cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane (PubChem CID 167215874) has the molecular formula C30H26OP2 and a molecular weight of 464.49 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
PubChem CID167215874
Molecular FormulaC30H26OP2
Molecular Weight464.49 g/mol
Exact Mass464.15
IUPAC Namecyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
SMILESC1=CC(P(c2ccccc2)c2ccccc2Oc2ccccc2Pc2ccccc2)=CCC1
InChIInChI=1S/C30H26OP2/c1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-2,4-8,10-23,32H,3,9H2
InChIKeyQYOWAKQOQVQSPN-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
CID 122491107
[2-(2-diphenylphosphanylcyclohepta-1,3-dien-1-yl)oxyphenyl]-diphenylphosphane
CID 123699305
(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane
CID 166796367
[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;rhodium;perchlorate
CID 135084630
chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane
CID 143889847
diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane
CID 137491605
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393
[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
CID 23643523
[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-phenyl-[7-(2-phenylphosphanylphenoxy)cyclohepta-1,3,6-trien-1-yl]phosphane;toluene
CID 142416138
lithium;hydride;(2-methoxyphenyl)-phenylphosphane
CID 175008654
copper(1+);diphenylphosphane;hydride;triphenylphosphane
CID 122655243
3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-4-methoxycarbonylcyclohexa-1,3-diene-1-carboxylic acid
CID 70870712

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
The IUPAC name of cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane (CID 167215874) is cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane is C1=CC(P(c2ccccc2)c2ccccc2Oc2ccccc2Pc2ccccc2)=CCC1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
The InChIKey is QYOWAKQOQVQSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26OP2/c1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-2,4-8,10-23,32H,3,9H2.
What are the key properties of cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane has a molecular weight of 464.49 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane is sourced from PubChem (CID 167215874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).