1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene

C29H28P2 — CID 23416550

IUPAC1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene
SMILESC1=P(c2ccccc2)(c2ccccc2)CCCCP=1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28P2/c1-5-15-26(16-6-1)30(27-17-7-2-8-18-27)23-13-14-24-31(25-30,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22H,13-14,23-24H2
InChIKeyRUDSAPDJXFVPLL-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.75
Rot. Bonds4

About 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene

1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene (PubChem CID 23416550) has the molecular formula C29H28P2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene.

Molecular Properties

Compound Name1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene
PubChem CID23416550
Molecular FormulaC29H28P2
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene
SMILESC1=P(c2ccccc2)(c2ccccc2)CCCCP=1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28P2/c1-5-15-26(16-6-1)30(27-17-7-2-8-18-27)23-13-14-24-31(25-30,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22H,13-14,23-24H2
InChIKeyRUDSAPDJXFVPLL-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene
CID 177449424
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
CID 4134640
1,1'-biphenyl;cycloheptane
CID 174877368
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
2,2-diphenyl-8-(trichloromethyl)-1,7-diaza-2λ5-phosphacycloocta-1,7-diene
CID 10739727
2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene
CID 67826925
1-oxo-1-phenyl-1λ5-phospholane-2,3-dione
CID 66641409
1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole
CID 102113163
(1S,3aS,6aS)-3-methyl-1,2-diphenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]phosphole 1-oxide
CID 23419045
(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol
CID 69207984

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene?
The IUPAC name of 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene (CID 23416550) is 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene.
What is the SMILES notation for 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene?
The canonical SMILES for 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene is C1=P(c2ccccc2)(c2ccccc2)CCCCP=1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene?
The InChIKey is RUDSAPDJXFVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28P2/c1-5-15-26(16-6-1)30(27-17-7-2-8-18-27)23-13-14-24-31(25-30,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22H,13-14,23-24H2.
What are the key properties of 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene?
1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene has a molecular weight of 438.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene is sourced from PubChem (CID 23416550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).