1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene

C30H30O6 — CID 174734654

IUPAC1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
SMILESCOc1cc(-c2cccc(-c3ccccc3)c2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C30H30O6/c1-31-24-15-20(16-25(32-2)29(24)35-5)23-14-10-13-22(19-11-8-7-9-12-19)28(23)21-17-26(33-3)30(36-6)27(18-21)34-4/h7-18H,1-6H3
InChIKeyPSUPTVCGYURJAB-UHFFFAOYSA-N
MW486.56 g/mol
LogP6.74
Rot. Bonds9

About 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene

1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene (PubChem CID 174734654) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
PubChem CID174734654
Molecular FormulaC30H30O6
Molecular Weight486.56 g/mol
Exact Mass486.20
IUPAC Name1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
SMILESCOc1cc(-c2cccc(-c3ccccc3)c2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C30H30O6/c1-31-24-15-20(16-25(32-2)29(24)35-5)23-14-10-13-22(19-11-8-7-9-12-19)28(23)21-17-26(33-3)30(36-6)27(18-21)34-4/h7-18H,1-6H3
InChIKeyPSUPTVCGYURJAB-UHFFFAOYSA-N
XLogP6.74
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene (CID 174734654) is 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene is COc1cc(-c2cccc(-c3ccccc3)c2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene?
The InChIKey is PSUPTVCGYURJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O6/c1-31-24-15-20(16-25(32-2)29(24)35-5)23-14-10-13-22(19-11-8-7-9-12-19)28(23)21-17-26(33-3)30(36-6)27(18-21)34-4/h7-18H,1-6H3.
What are the key properties of 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene?
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene has a molecular weight of 486.56 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene is sourced from PubChem (CID 174734654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).