tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate

C63H51O4P — CID 87935037

IUPACtris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate
SMILESC=C(C)c1ccc(OP(=O)(Oc2ccc(C(=C)C)c(-c3ccccc3)c2-c2ccccc2)Oc2ccc(C(=C)C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C63H51O4P/c1-43(2)52-37-40-55(61(49-31-19-10-20-32-49)58(52)46-25-13-7-14-26-46)65-68(64,66-56-41-38-53(44(3)4)59(47-27-15-8-16-28-47)62(56)50-33-21-11-22-34-50)67-57-42-39-54(45(5)6)60(48-29-17-9-18-30-48)63(57)51-35-23-12-24-36-51/h7-42H,1,3,5H2,2,4,6H3
InChIKeyGEUYVPUZSZWTJM-UHFFFAOYSA-N
MW903.07 g/mol
LogP18.43
Rot. Bonds15

About tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate

tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate (PubChem CID 87935037) has the molecular formula C63H51O4P and a molecular weight of 903.07 g/mol. Its IUPAC name is tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate.

Molecular Properties

Compound Nametris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate
PubChem CID87935037
Molecular FormulaC63H51O4P
Molecular Weight903.07 g/mol
Exact Mass902.35
IUPAC Nametris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate
SMILESC=C(C)c1ccc(OP(=O)(Oc2ccc(C(=C)C)c(-c3ccccc3)c2-c2ccccc2)Oc2ccc(C(=C)C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C63H51O4P/c1-43(2)52-37-40-55(61(49-31-19-10-20-32-49)58(52)46-25-13-7-14-26-46)65-68(64,66-56-41-38-53(44(3)4)59(47-27-15-8-16-28-47)62(56)50-33-21-11-22-34-50)67-57-42-39-54(45(5)6)60(48-29-17-9-18-30-48)63(57)51-35-23-12-24-36-51/h7-42H,1,3,5H2,2,4,6H3
InChIKeyGEUYVPUZSZWTJM-UHFFFAOYSA-N
XLogP18.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.07
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate 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

tris(4-hydroxy-2,3-diphenylphenyl) phosphate
CID 139835214
[4-(2-tert-butylphenyl)-2,3-diphenylphenyl] diphenyl phosphate
CID 175192889
dimethyl (4-methyl-2,3-diphenylphenyl) phosphate
CID 176616261
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
CID 150021932
3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol
CID 70579546
[2,3-bis(4-tert-butylphenyl)phenyl] diphenyl phosphate
CID 175194897
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate
CID 141433722
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
tris[2,3-bis(4-hydroxyphenyl)phenyl] phosphate
CID 66816478

Frequently Asked Questions

What is the IUPAC name of tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate?
The IUPAC name of tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate (CID 87935037) is tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate.
What is the SMILES notation for tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate?
The canonical SMILES for tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate is C=C(C)c1ccc(OP(=O)(Oc2ccc(C(=C)C)c(-c3ccccc3)c2-c2ccccc2)Oc2ccc(C(=C)C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate?
The InChIKey is GEUYVPUZSZWTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51O4P/c1-43(2)52-37-40-55(61(49-31-19-10-20-32-49)58(52)46-25-13-7-14-26-46)65-68(64,66-56-41-38-53(44(3)4)59(47-27-15-8-16-28-47)62(56)50-33-21-11-22-34-50)67-57-42-39-54(45(5)6)60(48-29-17-9-18-30-48)63(57)51-35-23-12-24-36-51/h7-42H,1,3,5H2,2,4,6H3.
What are the key properties of tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate?
tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate has a molecular weight of 903.07 g/mol, XLogP of 18.43, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate is sourced from PubChem (CID 87935037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).