9-(3-diphenylphosphorylphenyl)acridine

C31H22NOP — CID 146204114

IUPAC9-(3-diphenylphosphorylphenyl)acridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C31H22NOP/c33-34(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)31-27-18-7-9-20-29(27)32-30-21-10-8-19-28(30)31/h1-22H
InChIKeyNJXFIACDBHNANL-UHFFFAOYSA-N
MW455.50 g/mol
LogP6.69
Rot. Bonds4

About 9-(3-diphenylphosphorylphenyl)acridine

9-(3-diphenylphosphorylphenyl)acridine (PubChem CID 146204114) has the molecular formula C31H22NOP and a molecular weight of 455.50 g/mol. Its IUPAC name is 9-(3-diphenylphosphorylphenyl)acridine.

Molecular Properties

Compound Name9-(3-diphenylphosphorylphenyl)acridine
PubChem CID146204114
Molecular FormulaC31H22NOP
Molecular Weight455.50 g/mol
Exact Mass455.14
IUPAC Name9-(3-diphenylphosphorylphenyl)acridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C31H22NOP/c33-34(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)31-27-18-7-9-20-29(27)32-30-21-10-8-19-28(30)31/h1-22H
InChIKeyNJXFIACDBHNANL-UHFFFAOYSA-N
XLogP6.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 56.69
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

7-(3-diphenylphosphorylphenyl)benzo[c]acridine
CID 146203985
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
2,3-bis(3-diphenylphosphorylphenyl)-[1,4]benzodithiino[2,3-b]quinoxaline
CID 135215065
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
3-acridin-9-ylaniline
CID 87131444
6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129134322
6-diphenylphosphoryl-8-phenylphenanthridine
CID 177440018
8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 130264661
1-(3-acridin-9-ylphenyl)ethanone
CID 18966030
3-diphenylphosphoryl-4-phenylquinoline
CID 177449256
6-(3-diphenylphosphorylphenyl)-8-(2-phenylquinazolin-4-yl)benzo[k]phenanthridine
CID 122665400

Frequently Asked Questions

What is the IUPAC name of 9-(3-diphenylphosphorylphenyl)acridine?
The IUPAC name of 9-(3-diphenylphosphorylphenyl)acridine (CID 146204114) is 9-(3-diphenylphosphorylphenyl)acridine.
What is the SMILES notation for 9-(3-diphenylphosphorylphenyl)acridine?
The canonical SMILES for 9-(3-diphenylphosphorylphenyl)acridine is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 9-(3-diphenylphosphorylphenyl)acridine?
The InChIKey is NJXFIACDBHNANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NOP/c33-34(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)31-27-18-7-9-20-29(27)32-30-21-10-8-19-28(30)31/h1-22H.
What are the key properties of 9-(3-diphenylphosphorylphenyl)acridine?
9-(3-diphenylphosphorylphenyl)acridine has a molecular weight of 455.50 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-diphenylphosphorylphenyl)acridine is sourced from PubChem (CID 146204114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).