1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene

C40H34O — CID 18332089

IUPAC1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene
SMILESc1ccc(Cc2cccc(Oc3cccc(Cc4ccccc4)c3Cc3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C40H34O/c1-5-15-31(16-6-1)27-35-23-13-25-39(37(35)29-33-19-9-3-10-20-33)41-40-26-14-24-36(28-32-17-7-2-8-18-32)38(40)30-34-21-11-4-12-22-34/h1-26H,27-30H2
InChIKeyWHUBVEXURMHNRX-UHFFFAOYSA-N
MW530.71 g/mol
LogP9.84
Rot. Bonds10

About 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene

1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene (PubChem CID 18332089) has the molecular formula C40H34O and a molecular weight of 530.71 g/mol. Its IUPAC name is 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene.

Molecular Properties

Compound Name1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene
PubChem CID18332089
Molecular FormulaC40H34O
Molecular Weight530.71 g/mol
Exact Mass530.26
IUPAC Name1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene
SMILESc1ccc(Cc2cccc(Oc3cccc(Cc4ccccc4)c3Cc3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C40H34O/c1-5-15-31(16-6-1)27-35-23-13-25-39(37(35)29-33-19-9-3-10-20-33)41-40-26-14-24-36(28-32-17-7-2-8-18-32)38(40)30-34-21-11-4-12-22-34/h1-26H,27-30H2
InChIKeyWHUBVEXURMHNRX-UHFFFAOYSA-N
XLogP9.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.71
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[3-benzyl-2-(2-phenylmethoxyethyl)phenoxy]-2-(2-phenylmethoxyethyl)benzene
CID 140993797
CID 173406319
CID 173406319
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
1-benzyl-2,3-dipropylbenzene
CID 22920914
(2-benzylphenyl) formate
CID 146231957
bis(2-benzylphenoxy)-oxophosphanium
CID 67546168
bis(2-benzylphenoxy)-fluorophosphane
CID 54155008
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
(2,3-dibenzylphenyl)-oxo-phenylphosphanium
CID 172767441
bis(2-benzylphenyl) fluoro phosphite
CID 70361410
1,2,3,4,5-pentabenzyl-6-(2-benzylphenyl)benzene
CID 170735831

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene?
The IUPAC name of 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene (CID 18332089) is 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene.
What is the SMILES notation for 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene?
The canonical SMILES for 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene is c1ccc(Cc2cccc(Oc3cccc(Cc4ccccc4)c3Cc3ccccc3)c2Cc2ccccc2)cc1.
What is the InChIKey of 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene?
The InChIKey is WHUBVEXURMHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O/c1-5-15-31(16-6-1)27-35-23-13-25-39(37(35)29-33-19-9-3-10-20-33)41-40-26-14-24-36(28-32-17-7-2-8-18-32)38(40)30-34-21-11-4-12-22-34/h1-26H,27-30H2.
What are the key properties of 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene?
1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene has a molecular weight of 530.71 g/mol, XLogP of 9.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene is sourced from PubChem (CID 18332089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).