1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene

C50H36 — CID 100913685

IUPAC1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
SMILESC=Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H36/c1-2-36-28-30-37(31-29-36)38-32-34-44(35-33-38)50-48(42-24-14-6-15-25-42)46(40-20-10-4-11-21-40)45(39-18-8-3-9-19-39)47(41-22-12-5-13-23-41)49(50)43-26-16-7-17-27-43/h2-35H,1H2
InChIKeyPDDVHYANHTZCTB-UHFFFAOYSA-N
MW636.84 g/mol
LogP14.00
Rot. Bonds8

About 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene

1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene (PubChem CID 100913685) has the molecular formula C50H36 and a molecular weight of 636.84 g/mol. Its IUPAC name is 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene.

Molecular Properties

Compound Name1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
PubChem CID100913685
Molecular FormulaC50H36
Molecular Weight636.84 g/mol
Exact Mass636.28
IUPAC Name1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
SMILESC=Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H36/c1-2-36-28-30-37(31-29-36)38-32-34-44(35-33-38)50-48(42-24-14-6-15-25-42)46(40-20-10-4-11-21-40)45(39-18-8-3-9-19-39)47(41-22-12-5-13-23-41)49(50)43-26-16-7-17-27-43/h2-35H,1H2
InChIKeyPDDVHYANHTZCTB-UHFFFAOYSA-N
XLogP14.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.84
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene?
The IUPAC name of 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene (CID 100913685) is 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene.
What is the SMILES notation for 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene?
The canonical SMILES for 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene is C=Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene?
The InChIKey is PDDVHYANHTZCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36/c1-2-36-28-30-37(31-29-36)38-32-34-44(35-33-38)50-48(42-24-14-6-15-25-42)46(40-20-10-4-11-21-40)45(39-18-8-3-9-19-39)47(41-22-12-5-13-23-41)49(50)43-26-16-7-17-27-43/h2-35H,1H2.
What are the key properties of 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene?
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene has a molecular weight of 636.84 g/mol, XLogP of 14.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene is sourced from PubChem (CID 100913685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).