9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene

C44H30 — CID 164706319

IUPAC9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30/c1-4-16-31(17-5-1)34-22-14-23-35(30-34)43-37-24-10-12-26-39(37)44(40-27-13-11-25-38(40)43)41-29-15-28-36(32-18-6-2-7-19-32)42(41)33-20-8-3-9-21-33/h1-30H
InChIKeyDFOVBUJFHDQJLQ-UHFFFAOYSA-N
MW558.72 g/mol
LogP12.33
Rot. Bonds5

About 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene

9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene (PubChem CID 164706319) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
PubChem CID164706319
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30/c1-4-16-31(17-5-1)34-22-14-23-35(30-34)43-37-24-10-12-26-39(37)44(40-27-13-11-25-38(40)43)41-29-15-28-36(32-18-6-2-7-19-32)42(41)33-20-8-3-9-21-33/h1-30H
InChIKeyDFOVBUJFHDQJLQ-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-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
The IUPAC name of 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene (CID 164706319) is 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4-c4ccccc4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
The InChIKey is DFOVBUJFHDQJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-4-16-31(17-5-1)34-22-14-23-35(30-34)43-37-24-10-12-26-39(37)44(40-27-13-11-25-38(40)43)41-29-15-28-36(32-18-6-2-7-19-32)42(41)33-20-8-3-9-21-33/h1-30H.
What are the key properties of 9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)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-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 164706319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).