1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene

C48H34 — CID 143438062

IUPAC1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5cccc(-c6ccccc6)c5)ccc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H34/c1-5-15-35(16-6-1)39-23-13-25-41(29-39)43-27-28-47(38-21-11-4-12-22-38)48(34-43)46-32-44(37-19-9-3-10-20-37)31-45(33-46)42-26-14-24-40(30-42)36-17-7-2-8-18-36/h1-34H
InChIKeyWOCVDKKTSPZZPU-UHFFFAOYSA-N
MW610.80 g/mol
LogP13.36
Rot. Bonds7

About 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene

1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene (PubChem CID 143438062) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
PubChem CID143438062
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5cccc(-c6ccccc6)c5)ccc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H34/c1-5-15-35(16-6-1)39-23-13-25-41(29-39)43-27-28-47(38-21-11-4-12-22-38)48(34-43)46-32-44(37-19-9-3-10-20-37)31-45(33-46)42-26-14-24-40(30-42)36-17-7-2-8-18-36/h1-34H
InChIKeyWOCVDKKTSPZZPU-UHFFFAOYSA-N
XLogP13.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene?
The IUPAC name of 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene (CID 143438062) is 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5cccc(-c6ccccc6)c5)ccc4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene?
The InChIKey is WOCVDKKTSPZZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34/c1-5-15-35(16-6-1)39-23-13-25-41(29-39)43-27-28-47(38-21-11-4-12-22-38)48(34-43)46-32-44(37-19-9-3-10-20-37)31-45(33-46)42-26-14-24-40(30-42)36-17-7-2-8-18-36/h1-34H.
What are the key properties of 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene?
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene has a molecular weight of 610.80 g/mol, XLogP of 13.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 143438062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).