9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene

C46H31OP — CID 122597792

IUPAC9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H31OP/c47-48(35-17-3-1-4-18-35,36-19-5-2-6-20-36)37-29-27-32(28-30-37)44-40-23-11-13-25-42(40)46(43-26-14-12-24-41(43)44)45-38-21-9-7-15-33(38)31-34-16-8-10-22-39(34)45/h1-31H
InChIKeyNREYIEODWYJHEL-UHFFFAOYSA-N
MW630.73 g/mol
LogP11.27
Rot. Bonds5

About 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene

9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene (PubChem CID 122597792) has the molecular formula C46H31OP and a molecular weight of 630.73 g/mol. Its IUPAC name is 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene.

Molecular Properties

Compound Name9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
PubChem CID122597792
Molecular FormulaC46H31OP
Molecular Weight630.73 g/mol
Exact Mass630.21
IUPAC Name9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H31OP/c47-48(35-17-3-1-4-18-35,36-19-5-2-6-20-36)37-29-27-32(28-30-37)44-40-23-11-13-25-42(40)46(43-26-14-12-24-41(43)44)45-38-21-9-7-15-33(38)31-34-16-8-10-22-39(34)45/h1-31H
InChIKeyNREYIEODWYJHEL-UHFFFAOYSA-N
XLogP11.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.73
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605139
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
CID 163479124
3-diphenylphosphorylphenanthrene
CID 170944174
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene?
The IUPAC name of 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene (CID 122597792) is 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene.
What is the SMILES notation for 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene?
The canonical SMILES for 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene?
The InChIKey is NREYIEODWYJHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31OP/c47-48(35-17-3-1-4-18-35,36-19-5-2-6-20-36)37-29-27-32(28-30-37)44-40-23-11-13-25-42(40)46(43-26-14-12-24-41(43)44)45-38-21-9-7-15-33(38)31-34-16-8-10-22-39(34)45/h1-31H.
What are the key properties of 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene?
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene has a molecular weight of 630.73 g/mol, XLogP of 11.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene is sourced from PubChem (CID 122597792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).