1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene

C46H38O4 — CID 102293642

IUPAC1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
SMILESCOc1cc(OC)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3cc(OC)cc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C46H38O4/c1-47-37-25-35(26-38(29-37)48-2)45-41(31-17-9-5-10-18-31)43(33-21-13-7-14-22-33)46(36-27-39(49-3)30-40(28-36)50-4)44(34-23-15-8-16-24-34)42(45)32-19-11-6-12-20-32/h5-30H,1-4H3
InChIKeyGFMMZILPPMWLNI-UHFFFAOYSA-N
MW654.81 g/mol
LogP11.72
Rot. Bonds10

About 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene

1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene (PubChem CID 102293642) has the molecular formula C46H38O4 and a molecular weight of 654.81 g/mol. Its IUPAC name is 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene.

Molecular Properties

Compound Name1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
PubChem CID102293642
Molecular FormulaC46H38O4
Molecular Weight654.81 g/mol
Exact Mass654.28
IUPAC Name1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
SMILESCOc1cc(OC)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3cc(OC)cc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C46H38O4/c1-47-37-25-35(26-38(29-37)48-2)45-41(31-17-9-5-10-18-31)43(33-21-13-7-14-22-33)46(36-27-39(49-3)30-40(28-36)50-4)44(34-23-15-8-16-24-34)42(45)32-19-11-6-12-20-32/h5-30H,1-4H3
InChIKeyGFMMZILPPMWLNI-UHFFFAOYSA-N
XLogP11.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethoxy-5-phenylbenzene
CID 11469945
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-[2-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethynyl]phenyl]-3,5-dimethoxybenzene
CID 23727303
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
1-methoxy-4-phenylbenzene cyanide
CID 159561637
2-methoxy-6-phenylnaphthalene
CID 11253308
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene?
The IUPAC name of 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene (CID 102293642) is 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene.
What is the SMILES notation for 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene?
The canonical SMILES for 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene is COc1cc(OC)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3cc(OC)cc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene?
The InChIKey is GFMMZILPPMWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38O4/c1-47-37-25-35(26-38(29-37)48-2)45-41(31-17-9-5-10-18-31)43(33-21-13-7-14-22-33)46(36-27-39(49-3)30-40(28-36)50-4)44(34-23-15-8-16-24-34)42(45)32-19-11-6-12-20-32/h5-30H,1-4H3.
What are the key properties of 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene?
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene has a molecular weight of 654.81 g/mol, XLogP of 11.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene is sourced from PubChem (CID 102293642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).