[2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite

C59H42O6P2 — CID 58610878

IUPAC[2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite
SMILESc1ccc(C(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)(c2ccccc2)c2ccccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C59H42O6P2/c1-3-25-51(26-4-1)59(52-27-5-2-6-28-52,65-67(62-55-37-33-45-19-9-13-23-49(45)41-55)63-56-38-34-46-20-10-14-24-50(46)42-56)57-29-15-16-30-58(57)64-66(60-53-35-31-43-17-7-11-21-47(43)39-53)61-54-36-32-44-18-8-12-22-48(44)40-54/h1-42H
InChIKeyLQBYTHJWSDZORM-UHFFFAOYSA-N
MW908.93 g/mol
LogP16.76
Rot. Bonds15

About [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite

[2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite (PubChem CID 58610878) has the molecular formula C59H42O6P2 and a molecular weight of 908.93 g/mol. Its IUPAC name is [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite.

Molecular Properties

Compound Name[2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite
PubChem CID58610878
Molecular FormulaC59H42O6P2
Molecular Weight908.93 g/mol
Exact Mass908.25
IUPAC Name[2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite
SMILESc1ccc(C(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)(c2ccccc2)c2ccccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C59H42O6P2/c1-3-25-51(26-4-1)59(52-27-5-2-6-28-52,65-67(62-55-37-33-45-19-9-13-23-49(45)41-55)63-56-38-34-46-20-10-14-24-50(46)42-56)57-29-15-16-30-58(57)64-66(60-53-35-31-43-17-7-11-21-47(43)39-53)61-54-36-32-44-18-8-12-22-48(44)40-54/h1-42H
InChIKeyLQBYTHJWSDZORM-UHFFFAOYSA-N
XLogP16.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.93
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite 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

(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite
CID 58931698
(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite
CID 58931783
[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite
CID 159631780
(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
dinaphthalen-1-yl phenyl phosphite
CID 11575113
tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite
CID 58610891
1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
CID 67065346
(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087216
N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine
CID 146157929
triphenyl phosphite
CID 7540

Frequently Asked Questions

What is the IUPAC name of [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite?
The IUPAC name of [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite (CID 58610878) is [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite.
What is the SMILES notation for [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite?
The canonical SMILES for [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite is c1ccc(C(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)(c2ccccc2)c2ccccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite?
The InChIKey is LQBYTHJWSDZORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42O6P2/c1-3-25-51(26-4-1)59(52-27-5-2-6-28-52,65-67(62-55-37-33-45-19-9-13-23-49(45)41-55)63-56-38-34-46-20-10-14-24-50(46)42-56)57-29-15-16-30-58(57)64-66(60-53-35-31-43-17-7-11-21-47(43)39-53)61-54-36-32-44-18-8-12-22-48(44)40-54/h1-42H.
What are the key properties of [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite?
[2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite has a molecular weight of 908.93 g/mol, XLogP of 16.76, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite is sourced from PubChem (CID 58610878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).