1,5-bis(diphenylphosphoryl)anthracene

C38H28O2P2 — CID 88535905

IUPAC1,5-bis(diphenylphosphoryl)anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2cc3c(P(=O)(c4ccccc4)c4ccccc4)cccc3cc12
InChIInChI=1S/C38H28O2P2/c39-41(31-17-5-1-6-18-31,32-19-7-2-8-20-32)37-25-13-15-29-28-36-30(27-35(29)37)16-14-26-38(36)42(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H
InChIKeyKNWJLYJWJUBXQE-UHFFFAOYSA-N
MW578.59 g/mol
LogP7.27
Rot. Bonds6

About 1,5-bis(diphenylphosphoryl)anthracene

1,5-bis(diphenylphosphoryl)anthracene (PubChem CID 88535905) has the molecular formula C38H28O2P2 and a molecular weight of 578.59 g/mol. Its IUPAC name is 1,5-bis(diphenylphosphoryl)anthracene.

Molecular Properties

Compound Name1,5-bis(diphenylphosphoryl)anthracene
PubChem CID88535905
Molecular FormulaC38H28O2P2
Molecular Weight578.59 g/mol
Exact Mass578.16
IUPAC Name1,5-bis(diphenylphosphoryl)anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2cc3c(P(=O)(c4ccccc4)c4ccccc4)cccc3cc12
InChIInChI=1S/C38H28O2P2/c39-41(31-17-5-1-6-18-31,32-19-7-2-8-20-32)37-25-13-15-29-28-36-30(27-35(29)37)16-14-26-38(36)42(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H
InChIKeyKNWJLYJWJUBXQE-UHFFFAOYSA-N
XLogP7.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.59
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
CID 163479124
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
2-diphenylphosphorylphenol
CID 626229
3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 118672844
1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
CID 11151842
1-diphenylphosphoryl-8-methylsulfanylnaphthalene
CID 58555963
2-diphenylphosphoryl-1-methylnaphthalene
CID 150613039
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
diphenylphosphorylbenzene;terbium
CID 86595283

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(diphenylphosphoryl)anthracene?
The IUPAC name of 1,5-bis(diphenylphosphoryl)anthracene (CID 88535905) is 1,5-bis(diphenylphosphoryl)anthracene.
What is the SMILES notation for 1,5-bis(diphenylphosphoryl)anthracene?
The canonical SMILES for 1,5-bis(diphenylphosphoryl)anthracene is O=P(c1ccccc1)(c1ccccc1)c1cccc2cc3c(P(=O)(c4ccccc4)c4ccccc4)cccc3cc12.
What is the InChIKey of 1,5-bis(diphenylphosphoryl)anthracene?
The InChIKey is KNWJLYJWJUBXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O2P2/c39-41(31-17-5-1-6-18-31,32-19-7-2-8-20-32)37-25-13-15-29-28-36-30(27-35(29)37)16-14-26-38(36)42(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H.
What are the key properties of 1,5-bis(diphenylphosphoryl)anthracene?
1,5-bis(diphenylphosphoryl)anthracene has a molecular weight of 578.59 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(diphenylphosphoryl)anthracene is sourced from PubChem (CID 88535905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).