9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene

C44H30 — CID 23579750

IUPAC9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C44H30/c1-3-13-31(14-4-1)33-25-27-34(28-26-33)36-18-12-20-38(30-36)44-41-23-9-7-21-39(41)43(40-22-8-10-24-42(40)44)37-19-11-17-35(29-37)32-15-5-2-6-16-32/h1-30H
InChIKeyOAUIDUMRFDMEIH-UHFFFAOYSA-N
MW558.72 g/mol
LogP12.33
Rot. Bonds5

About 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene

9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene (PubChem CID 23579750) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
PubChem CID23579750
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C44H30/c1-3-13-31(14-4-1)33-25-27-34(28-26-33)36-18-12-20-38(30-36)44-41-23-9-7-21-39(41)43(40-22-8-10-24-42(40)44)37-19-11-17-35(29-37)32-15-5-2-6-16-32/h1-30H
InChIKeyOAUIDUMRFDMEIH-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-methyl-10-(3-phenylphenyl)anthracene
CID 58599979
CID 143321545
CID 143321545
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene?
The IUPAC name of 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene (CID 23579750) is 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene is c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c3)cc2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene?
The InChIKey is OAUIDUMRFDMEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-3-13-31(14-4-1)33-25-27-34(28-26-33)36-18-12-20-38(30-36)44-41-23-9-7-21-39(41)43(40-22-8-10-24-42(40)44)37-19-11-17-35(29-37)32-15-5-2-6-16-32/h1-30H.
What are the key properties of 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene?
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene has a molecular weight of 558.72 g/mol, XLogP of 12.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 23579750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).