1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene

C48H28Cl6 — CID 157232417

IUPAC1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
SMILESClc1cc(Cl)c(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C48H28Cl6/c49-33-21-43(51)47(44(52)22-33)41-27-37(31-17-9-3-10-18-31)35(29-13-5-1-6-14-29)25-39(41)40-26-36(30-15-7-2-8-16-30)38(32-19-11-4-12-20-32)28-42(40)48-45(53)23-34(50)24-46(48)54/h1-28H
InChIKeyAUGCGJAXQRKAJO-UHFFFAOYSA-N
MW817.47 g/mol
LogP17.28
Rot. Bonds7

About 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene

1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene (PubChem CID 157232417) has the molecular formula C48H28Cl6 and a molecular weight of 817.47 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
PubChem CID157232417
Molecular FormulaC48H28Cl6
Molecular Weight817.47 g/mol
Exact Mass814.03
IUPAC Name1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
SMILESClc1cc(Cl)c(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C48H28Cl6/c49-33-21-43(51)47(44(52)22-33)41-27-37(31-17-9-3-10-18-31)35(29-13-5-1-6-14-29)25-39(41)40-26-36(30-15-7-2-8-16-30)38(32-19-11-4-12-20-32)28-42(40)48-45(53)23-34(50)24-46(48)54/h1-28H
InChIKeyAUGCGJAXQRKAJO-UHFFFAOYSA-N
XLogP17.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.47
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene?
The IUPAC name of 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene (CID 157232417) is 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene is Clc1cc(Cl)c(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene?
The InChIKey is AUGCGJAXQRKAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28Cl6/c49-33-21-43(51)47(44(52)22-33)41-27-37(31-17-9-3-10-18-31)35(29-13-5-1-6-14-29)25-39(41)40-26-36(30-15-7-2-8-16-30)38(32-19-11-4-12-20-32)28-42(40)48-45(53)23-34(50)24-46(48)54/h1-28H.
What are the key properties of 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene?
1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene has a molecular weight of 817.47 g/mol, XLogP of 17.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene is sourced from PubChem (CID 157232417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).