1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene

C35H27O2P — CID 134912946

IUPAC1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)P(Oc2ccccc2)(Oc2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H27O2P/c1-6-16-28(17-7-1)31-26-34(29-18-8-2-9-19-29)38(36-32-22-12-4-13-23-32,37-33-24-14-5-15-25-33)35(27-31)30-20-10-3-11-21-30/h1-27H
InChIKeyXAVOKAVMHNMONP-UHFFFAOYSA-N
MW510.57 g/mol
LogP9.35
Rot. Bonds7

About 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene

1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene (PubChem CID 134912946) has the molecular formula C35H27O2P and a molecular weight of 510.57 g/mol. Its IUPAC name is 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene
PubChem CID134912946
Molecular FormulaC35H27O2P
Molecular Weight510.57 g/mol
Exact Mass510.17
IUPAC Name1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)P(Oc2ccccc2)(Oc2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H27O2P/c1-6-16-28(17-7-1)31-26-34(29-18-8-2-9-19-29)38(36-32-22-12-4-13-23-32,37-33-24-14-5-15-25-33)35(27-31)30-20-10-3-11-21-30/h1-27H
InChIKeyXAVOKAVMHNMONP-UHFFFAOYSA-N
XLogP9.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.57
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-trien-1-yl) propanoate
CID 134868693
1,1-bis(ethylsulfanyl)-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene
CID 134912936
N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide
CID 4868190
2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
CID 59283717
benzene;tris(1,1'-biphenyl)
CID 162155747
2-phenoxy-2,4,4,6,6,8,8-hepta(propan-2-yloxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877873
4,6,15,17,26,28,37,39-octamethyl-5,16,27,38-tetraphenoxy-3,4,6,7,14,15,17,18,25,26,28,29,36,37,39,40,45,46,47,48-icosaza-5λ5,16λ5,27λ5,38λ5-tetraphosphapentacyclo[40.2.1.19,12.120,23.131,34]octatetraconta-1(44),2,7,9,11,13,18,20,22,24,29,31,33,35,40,42-hexadecaene 5,16,27,38-tetraoxide
CID 177439761
2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13308395
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23418629
11-phenoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide
CID 172701636
CID 70491549
CID 70491549

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene?
The IUPAC name of 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene (CID 134912946) is 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene?
The canonical SMILES for 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene is C1=C(c2ccccc2)C=C(c2ccccc2)P(Oc2ccccc2)(Oc2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene?
The InChIKey is XAVOKAVMHNMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27O2P/c1-6-16-28(17-7-1)31-26-34(29-18-8-2-9-19-29)38(36-32-22-12-4-13-23-32,37-33-24-14-5-15-25-33)35(27-31)30-20-10-3-11-21-30/h1-27H.
What are the key properties of 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene?
1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene has a molecular weight of 510.57 g/mol, XLogP of 9.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 134912946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).