1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene

C69H60 — CID 100946405

IUPAC1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
SMILESc1ccc(Cc2cccc(Cc3cccc(Cc4cc(Cc5cccc(Cc6cccc(Cc7ccccc7)c6)c5)cc(Cc5cccc(Cc6cccc(Cc7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C69H60/c1-4-16-52(17-5-1)34-55-22-10-25-58(37-55)40-61-28-13-31-64(43-61)46-67-49-68(47-65-32-14-29-62(44-65)41-59-26-11-23-56(38-59)35-53-18-6-2-7-19-53)51-69(50-67)48-66-33-15-30-63(45-66)42-60-27-12-24-57(39-60)36-54-20-8-3-9-21-54/h1-33,37-39,43-45,49-51H,34-36,40-42,46-48H2
InChIKeyFBRGZHIOYULGGW-UHFFFAOYSA-N
MW889.24 g/mol
LogP16.00
Rot. Bonds18

About 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene

1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene (PubChem CID 100946405) has the molecular formula C69H60 and a molecular weight of 889.24 g/mol. Its IUPAC name is 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
PubChem CID100946405
Molecular FormulaC69H60
Molecular Weight889.24 g/mol
Exact Mass888.47
IUPAC Name1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
SMILESc1ccc(Cc2cccc(Cc3cccc(Cc4cc(Cc5cccc(Cc6cccc(Cc7ccccc7)c6)c5)cc(Cc5cccc(Cc6cccc(Cc7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C69H60/c1-4-16-52(17-5-1)34-55-22-10-25-58(37-55)40-61-28-13-31-64(43-61)46-67-49-68(47-65-32-14-29-62(44-65)41-59-26-11-23-56(38-59)35-53-18-6-2-7-19-53)51-69(50-67)48-66-33-15-30-63(45-66)42-60-27-12-24-57(39-60)36-54-20-8-3-9-21-54/h1-33,37-39,43-45,49-51H,34-36,40-42,46-48H2
InChIKeyFBRGZHIOYULGGW-UHFFFAOYSA-N
XLogP16.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.24
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene?
The IUPAC name of 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene (CID 100946405) is 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene.
What is the SMILES notation for 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene?
The canonical SMILES for 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene is c1ccc(Cc2cccc(Cc3cccc(Cc4cc(Cc5cccc(Cc6cccc(Cc7ccccc7)c6)c5)cc(Cc5cccc(Cc6cccc(Cc7ccccc7)c6)c5)c4)c3)c2)cc1.
What is the InChIKey of 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene?
The InChIKey is FBRGZHIOYULGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H60/c1-4-16-52(17-5-1)34-55-22-10-25-58(37-55)40-61-28-13-31-64(43-61)46-67-49-68(47-65-32-14-29-62(44-65)41-59-26-11-23-56(38-59)35-53-18-6-2-7-19-53)51-69(50-67)48-66-33-15-30-63(45-66)42-60-27-12-24-57(39-60)36-54-20-8-3-9-21-54/h1-33,37-39,43-45,49-51H,34-36,40-42,46-48H2.
What are the key properties of 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene?
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene has a molecular weight of 889.24 g/mol, XLogP of 16.00, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene is sourced from PubChem (CID 100946405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).