2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene

C44H32O4P2 — CID 175883914

IUPAC2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene
SMILESO=P(Oc1cc2ccccc2c(-c2cccc3ccccc23)c1OP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H32O4P2/c45-49(35-21-5-1-6-22-35,36-23-7-2-8-24-36)47-42-32-34-19-14-16-30-40(34)43(41-31-17-20-33-18-13-15-29-39(33)41)44(42)48-50(46,37-25-9-3-10-26-37)38-27-11-4-12-28-38/h1-32H
InChIKeyVIPJZDBCPNQCGI-UHFFFAOYSA-N
MW686.68 g/mol
LogP10.28
Rot. Bonds9

About 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene

2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene (PubChem CID 175883914) has the molecular formula C44H32O4P2 and a molecular weight of 686.68 g/mol. Its IUPAC name is 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene.

Molecular Properties

Compound Name2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene
PubChem CID175883914
Molecular FormulaC44H32O4P2
Molecular Weight686.68 g/mol
Exact Mass686.18
IUPAC Name2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene
SMILESO=P(Oc1cc2ccccc2c(-c2cccc3ccccc23)c1OP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H32O4P2/c45-49(35-21-5-1-6-22-35,36-23-7-2-8-24-36)47-42-32-34-19-14-16-30-40(34)43(41-31-17-20-33-18-13-15-29-39(33)41)44(42)48-50(46,37-25-9-3-10-26-37)38-27-11-4-12-28-38/h1-32H
InChIKeyVIPJZDBCPNQCGI-UHFFFAOYSA-N
XLogP10.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.68
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(diphenylphosphoryloxy)naphthalene
CID 631205
9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene
CID 146539115
9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
CID 163479124
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
1,10-dinaphthalen-1-ylanthracene
CID 58645117
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
3-ethoxy-1-naphthalen-1-ylnaphthalen-2-ol
CID 151645059
(1-naphthalen-1-ylnaphthalen-2-yl)oxy-diphenylphosphane
CID 150565289
(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate
CID 139754686
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
ethyl 3-[3-(3-ethoxy-3-oxopropoxy)-4-naphthalen-1-ylnaphthalen-2-yl]oxypropanoate
CID 175752420

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene?
The IUPAC name of 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene (CID 175883914) is 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene.
What is the SMILES notation for 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene?
The canonical SMILES for 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene is O=P(Oc1cc2ccccc2c(-c2cccc3ccccc23)c1OP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene?
The InChIKey is VIPJZDBCPNQCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O4P2/c45-49(35-21-5-1-6-22-35,36-23-7-2-8-24-36)47-42-32-34-19-14-16-30-40(34)43(41-31-17-20-33-18-13-15-29-39(33)41)44(42)48-50(46,37-25-9-3-10-26-37)38-27-11-4-12-28-38/h1-32H.
What are the key properties of 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene?
2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene has a molecular weight of 686.68 g/mol, XLogP of 10.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene is sourced from PubChem (CID 175883914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).