[11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane

C44H42O4P2 — CID 59762669

IUPAC[11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2cc3ccc2CCc2ccc(c(P(c4ccc(OC)cc4)c4ccc(OC)cc4)c2)CC3)cc1
InChIInChI=1S/C44H42O4P2/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3
InChIKeyJALREJYREHTOKW-UHFFFAOYSA-N
MW696.76 g/mol
LogP7.12
Rot. Bonds10

About [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane

[11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane (PubChem CID 59762669) has the molecular formula C44H42O4P2 and a molecular weight of 696.76 g/mol. Its IUPAC name is [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane
PubChem CID59762669
Molecular FormulaC44H42O4P2
Molecular Weight696.76 g/mol
Exact Mass696.26
IUPAC Name[11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2cc3ccc2CCc2ccc(c(P(c4ccc(OC)cc4)c4ccc(OC)cc4)c2)CC3)cc1
InChIInChI=1S/C44H42O4P2/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3
InChIKeyJALREJYREHTOKW-UHFFFAOYSA-N
XLogP7.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.76
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane 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

4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
1,1',1'',1'''-(1,2-Ethenediylidene)tetrakis(4-methoxybenzene)
CID 24797
(4-Methoxybenzyl)triphenylphosphonium chloride
CID 2773651
R-(-)-1,13-Bis(diphenylphosphino)-7,8-dihydro-6H-dibenzo(f,h)(1,5)dioxonin
CID 10722198
1-[1,1-Bis(4-methoxyphenyl)ethyl]-4-[1-(4-methoxyphenyl)-1-methyl-ethyl]benzene
CID 23379898
Tris(4-methylphenyl)-[(4-phenoxyphenyl)methyl]phosphanium bromide
CID 57341472
Tris(3-methylphenyl)-[(4-phenoxyphenyl)methyl]phosphanium bromide
CID 57341476
(4-Benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide
CID 57341649
[4-[4-[[Diphenyl(propyl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propylphosphanium dibromide
CID 57342168
[4-[4-[[Diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide
CID 57342172
(4-Methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]phenoxy]phenyl]methyl]-diphenylphosphanium dibromide
CID 57342340

Frequently Asked Questions

What is the IUPAC name of [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane?
The IUPAC name of [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane (CID 59762669) is [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane.
What is the SMILES notation for [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane?
The canonical SMILES for [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane is COc1ccc(P(c2ccc(OC)cc2)c2cc3ccc2CCc2ccc(c(P(c4ccc(OC)cc4)c4ccc(OC)cc4)c2)CC3)cc1.
What is the InChIKey of [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane?
The InChIKey is JALREJYREHTOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O4P2/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3.
What are the key properties of [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane?
[11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane has a molecular weight of 696.76 g/mol, XLogP of 7.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane is sourced from PubChem (CID 59762669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).