1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene

C60H58O — CID 69457380

IUPAC1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
SMILESCC(c1ccccc1)c1ccc(Oc2ccc(C(C)c3ccccc3)c(C(C)c3ccccc3)c2C(C)c2ccccc2)c(C(C)c2ccccc2)c1C(C)c1ccccc1
InChIInChI=1S/C60H58O/c1-41(47-25-13-7-14-26-47)53-37-39-55(59(45(5)51-33-21-11-22-34-51)57(53)43(3)49-29-17-9-18-30-49)61-56-40-38-54(42(2)48-27-15-8-16-28-48)58(44(4)50-31-19-10-20-32-50)60(56)46(6)52-35-23-12-24-36-52/h7-46H,1-6H3
InChIKeyUWDJYKCSGPUFRX-UHFFFAOYSA-N
MW795.12 g/mol
LogP16.39
Rot. Bonds14

About 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene

1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene (PubChem CID 69457380) has the molecular formula C60H58O and a molecular weight of 795.12 g/mol. Its IUPAC name is 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene.

Molecular Properties

Compound Name1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
PubChem CID69457380
Molecular FormulaC60H58O
Molecular Weight795.12 g/mol
Exact Mass794.45
IUPAC Name1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
SMILESCC(c1ccccc1)c1ccc(Oc2ccc(C(C)c3ccccc3)c(C(C)c3ccccc3)c2C(C)c2ccccc2)c(C(C)c2ccccc2)c1C(C)c1ccccc1
InChIInChI=1S/C60H58O/c1-41(47-25-13-7-14-26-47)53-37-39-55(59(45(5)51-33-21-11-22-34-51)57(53)43(3)49-29-17-9-18-30-49)61-56-40-38-54(42(2)48-27-15-8-16-28-48)58(44(4)50-31-19-10-20-32-50)60(56)46(6)52-35-23-12-24-36-52/h7-46H,1-6H3
InChIKeyUWDJYKCSGPUFRX-UHFFFAOYSA-N
XLogP16.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.12
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2,3,4-tris(1-phenylethyl)phenyl] hydrogen sulfate
CID 67822105
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
CID 69309160
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
CID 18968375
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
ethane;1-phenylethylbenzene
CID 164998811
1-phenylethylbenzene;stibane
CID 174965918
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646
5-ethoxy-1,2,3-tris(1-phenylethyl)benzene
CID 135291226

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene?
The IUPAC name of 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene (CID 69457380) is 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene.
What is the SMILES notation for 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene?
The canonical SMILES for 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene is CC(c1ccccc1)c1ccc(Oc2ccc(C(C)c3ccccc3)c(C(C)c3ccccc3)c2C(C)c2ccccc2)c(C(C)c2ccccc2)c1C(C)c1ccccc1.
What is the InChIKey of 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene?
The InChIKey is UWDJYKCSGPUFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58O/c1-41(47-25-13-7-14-26-47)53-37-39-55(59(45(5)51-33-21-11-22-34-51)57(53)43(3)49-29-17-9-18-30-49)61-56-40-38-54(42(2)48-27-15-8-16-28-48)58(44(4)50-31-19-10-20-32-50)60(56)46(6)52-35-23-12-24-36-52/h7-46H,1-6H3.
What are the key properties of 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene?
1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene has a molecular weight of 795.12 g/mol, XLogP of 16.39, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene is sourced from PubChem (CID 69457380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).