1,8-bis(diphenylphosphoryloxy)naphthalene

C34H26O4P2 — CID 631205

IUPAC1,8-bis(diphenylphosphoryloxy)naphthalene
SMILESO=P(Oc1cccc2cccc(OP(=O)(c3ccccc3)c3ccccc3)c12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26O4P2/c35-39(28-17-5-1-6-18-28,29-19-7-2-8-20-29)37-32-25-13-15-27-16-14-26-33(34(27)32)38-40(36,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKeyJSLILUGLNSRVOR-UHFFFAOYSA-N
MW560.53 g/mol
LogP7.46
Rot. Bonds8

About 1,8-bis(diphenylphosphoryloxy)naphthalene

1,8-bis(diphenylphosphoryloxy)naphthalene (PubChem CID 631205) has the molecular formula C34H26O4P2 and a molecular weight of 560.53 g/mol. Its IUPAC name is 1,8-bis(diphenylphosphoryloxy)naphthalene.

Molecular Properties

Compound Name1,8-bis(diphenylphosphoryloxy)naphthalene
PubChem CID631205
Molecular FormulaC34H26O4P2
Molecular Weight560.53 g/mol
Exact Mass560.13
IUPAC Name1,8-bis(diphenylphosphoryloxy)naphthalene
SMILESO=P(Oc1cccc2cccc(OP(=O)(c3ccccc3)c3ccccc3)c12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26O4P2/c35-39(28-17-5-1-6-18-28,29-19-7-2-8-20-29)37-32-25-13-15-27-16-14-26-33(34(27)32)38-40(36,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKeyJSLILUGLNSRVOR-UHFFFAOYSA-N
XLogP7.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.53
LogP ≤ 57.46
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-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
8-phosphonooxynaphthalene-1-carboxylic acid
CID 171384485
2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene
CID 175883914
1-diphenylphosphoryloxy-4-fluorobenzene
CID 23234465
2-bis(4-methoxyphenyl)phosphoryloxyphenol
CID 3304496
2-diphenylphosphoryloxyterephthalic acid
CID 175552705
4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
CID 175227137
[8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate
CID 71421993
1-[[2,3-di(propan-2-yl)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449
sodium naphthalen-1-yl phosphate
CID 22991747
1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
CID 154177622
2-tert-butyl-6-diphenylphosphoryloxy-4-methylaniline
CID 135063942

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(diphenylphosphoryloxy)naphthalene?
The IUPAC name of 1,8-bis(diphenylphosphoryloxy)naphthalene (CID 631205) is 1,8-bis(diphenylphosphoryloxy)naphthalene.
What is the SMILES notation for 1,8-bis(diphenylphosphoryloxy)naphthalene?
The canonical SMILES for 1,8-bis(diphenylphosphoryloxy)naphthalene is O=P(Oc1cccc2cccc(OP(=O)(c3ccccc3)c3ccccc3)c12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,8-bis(diphenylphosphoryloxy)naphthalene?
The InChIKey is JSLILUGLNSRVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O4P2/c35-39(28-17-5-1-6-18-28,29-19-7-2-8-20-29)37-32-25-13-15-27-16-14-26-33(34(27)32)38-40(36,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H.
What are the key properties of 1,8-bis(diphenylphosphoryloxy)naphthalene?
1,8-bis(diphenylphosphoryloxy)naphthalene has a molecular weight of 560.53 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(diphenylphosphoryloxy)naphthalene is sourced from PubChem (CID 631205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).