(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite

C48H36O7P2 — CID 58610891

IUPAC(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite
SMILESCOc1cccc(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1OP(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C48H36O7P2/c1-49-47-20-10-19-42(33-50-56(51-43-25-21-34-11-2-6-15-38(34)29-43)52-44-26-22-35-12-3-7-16-39(35)30-44)48(47)55-57(53-45-27-23-36-13-4-8-17-40(36)31-45)54-46-28-24-37-14-5-9-18-41(37)32-46/h2-32H,33H2,1H3
InChIKeyZEKKMBTWSWNIHE-UHFFFAOYSA-N
MW786.76 g/mol
LogP13.97
Rot. Bonds14

About (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite

(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite (PubChem CID 58610891) has the molecular formula C48H36O7P2 and a molecular weight of 786.76 g/mol. Its IUPAC name is (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite.

Molecular Properties

Compound Name(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite
PubChem CID58610891
Molecular FormulaC48H36O7P2
Molecular Weight786.76 g/mol
Exact Mass786.19
IUPAC Name(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite
SMILESCOc1cccc(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1OP(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C48H36O7P2/c1-49-47-20-10-19-42(33-50-56(51-43-25-21-34-11-2-6-15-38(34)29-43)52-44-26-22-35-12-3-7-16-39(35)30-44)48(47)55-57(53-45-27-23-36-13-4-8-17-40(36)31-45)54-46-28-24-37-14-5-9-18-41(37)32-46/h2-32H,33H2,1H3
InChIKeyZEKKMBTWSWNIHE-UHFFFAOYSA-N
XLogP13.97
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.76
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite
CID 159631780
bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite
CID 161027278
methanol;1-methoxynaphthalene;neptunium
CID 157299455
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite
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(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite
CID 58931783
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
dinaphthalen-1-yl phenyl phosphite
CID 11575113
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 42252267
N-[2-(2-methoxyphenyl)ethyl]naphthalen-2-amine
CID 106261920
1,11-dimethoxychrysene
CID 175599943

Frequently Asked Questions

What is the IUPAC name of (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite?
The IUPAC name of (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite (CID 58610891) is (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite.
What is the SMILES notation for (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite?
The canonical SMILES for (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite is COc1cccc(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1OP(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1.
What is the InChIKey of (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite?
The InChIKey is ZEKKMBTWSWNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36O7P2/c1-49-47-20-10-19-42(33-50-56(51-43-25-21-34-11-2-6-15-38(34)29-43)52-44-26-22-35-12-3-7-16-39(35)30-44)48(47)55-57(53-45-27-23-36-13-4-8-17-40(36)31-45)54-46-28-24-37-14-5-9-18-41(37)32-46/h2-32H,33H2,1H3.
What are the key properties of (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite?
(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite has a molecular weight of 786.76 g/mol, XLogP of 13.97, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite is sourced from PubChem (CID 58610891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).