1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene

C49H44 — CID 173361594

IUPAC1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene
SMILESc1ccc(Cc2cc(C(Cc3ccccc3)Cc3ccccc3)c(Cc3ccccc3)c(Cc3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C49H44/c1-7-19-38(20-8-1)31-44(32-39-21-9-2-10-22-39)47-37-45(33-40-23-11-3-12-24-40)46(34-41-25-13-4-14-26-41)48(35-42-27-15-5-16-28-42)49(47)36-43-29-17-6-18-30-43/h1-30,37,44H,31-36H2
InChIKeyBGWUGURUZLSOEJ-UHFFFAOYSA-N
MW632.89 g/mol
LogP11.62
Rot. Bonds13

About 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene

1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene (PubChem CID 173361594) has the molecular formula C49H44 and a molecular weight of 632.89 g/mol. Its IUPAC name is 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene
PubChem CID173361594
Molecular FormulaC49H44
Molecular Weight632.89 g/mol
Exact Mass632.34
IUPAC Name1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene
SMILESc1ccc(Cc2cc(C(Cc3ccccc3)Cc3ccccc3)c(Cc3ccccc3)c(Cc3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C49H44/c1-7-19-38(20-8-1)31-44(32-39-21-9-2-10-22-39)47-37-45(33-40-23-11-3-12-24-40)46(34-41-25-13-4-14-26-41)48(35-42-27-15-5-16-28-42)49(47)36-43-29-17-6-18-30-43/h1-30,37,44H,31-36H2
InChIKeyBGWUGURUZLSOEJ-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.89
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,3,4,5-pentabenzyl-6-(2-benzylphenyl)benzene
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CID 173406319
3,4-dibenzyl-2,6-dimethylpyridine
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phenyl(113C)methylbenzene
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4-benzyl-3,5-bis(2-methylpropyl)phenol
CID 21430786
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-2-propan-2-ylbenzene
CID 13215617
3-(2,3,5,6-tetrabenzylphenyl)phenol
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1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene?
The IUPAC name of 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene (CID 173361594) is 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene.
What is the SMILES notation for 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene?
The canonical SMILES for 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene is c1ccc(Cc2cc(C(Cc3ccccc3)Cc3ccccc3)c(Cc3ccccc3)c(Cc3ccccc3)c2Cc2ccccc2)cc1.
What is the InChIKey of 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene?
The InChIKey is BGWUGURUZLSOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44/c1-7-19-38(20-8-1)31-44(32-39-21-9-2-10-22-39)47-37-45(33-40-23-11-3-12-24-40)46(34-41-25-13-4-14-26-41)48(35-42-27-15-5-16-28-42)49(47)36-43-29-17-6-18-30-43/h1-30,37,44H,31-36H2.
What are the key properties of 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene?
1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene has a molecular weight of 632.89 g/mol, XLogP of 11.62, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene is sourced from PubChem (CID 173361594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).