9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene

C44H31OP — CID 166031061

IUPAC9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
SMILESO=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C44H31OP/c45-46(36-18-8-3-9-19-36,37-28-24-33(25-29-37)32-14-4-1-5-15-32)38-30-26-35(27-31-38)44-41-22-12-10-20-39(41)43(34-16-6-2-7-17-34)40-21-11-13-23-42(40)44/h1-31H
InChIKeyIKHJMABJPZHBAG-UHFFFAOYSA-N
MW606.71 g/mol
LogP10.63
Rot. Bonds6

About 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene

9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene (PubChem CID 166031061) has the molecular formula C44H31OP and a molecular weight of 606.71 g/mol. Its IUPAC name is 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
PubChem CID166031061
Molecular FormulaC44H31OP
Molecular Weight606.71 g/mol
Exact Mass606.21
IUPAC Name9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
SMILESO=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C44H31OP/c45-46(36-18-8-3-9-19-36,37-28-24-33(25-29-37)32-14-4-1-5-15-32)38-30-26-35(27-31-38)44-41-22-12-10-20-39(41)43(34-16-6-2-7-17-34)40-21-11-13-23-42(40)44/h1-31H
InChIKeyIKHJMABJPZHBAG-UHFFFAOYSA-N
XLogP10.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.71
LogP ≤ 510.63
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'}

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Related Compounds

9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
CID 118633176
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605139
dimethyl-methylidene-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-λ5-phosphane
CID 158473253
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid
CID 130317683
9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene
CID 145317230
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
3-(4-diphenylphosphorylphenyl)pyridine
CID 118672824

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene (CID 166031061) is 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene is O=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene?
The InChIKey is IKHJMABJPZHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31OP/c45-46(36-18-8-3-9-19-36,37-28-24-33(25-29-37)32-14-4-1-5-15-32)38-30-26-35(27-31-38)44-41-22-12-10-20-39(41)43(34-16-6-2-7-17-34)40-21-11-13-23-42(40)44/h1-31H.
What are the key properties of 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene?
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene has a molecular weight of 606.71 g/mol, XLogP of 10.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene is sourced from PubChem (CID 166031061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).