4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol

C30H22O4 — CID 158101675

IUPAC4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol
SMILESOc1ccc(-c2c(O)c(-c3ccccc3)c(O)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C30H22O4/c31-23-15-11-21(12-16-23)26-25(19-7-3-1-4-8-19)27(22-13-17-24(32)18-14-22)30(34)28(29(26)33)20-9-5-2-6-10-20/h1-18,31-34H
InChIKeyFPILXQJNFGSCAO-UHFFFAOYSA-N
MW446.50 g/mol
LogP7.18
Rot. Bonds4

About 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol

4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol (PubChem CID 158101675) has the molecular formula C30H22O4 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol
PubChem CID158101675
Molecular FormulaC30H22O4
Molecular Weight446.50 g/mol
Exact Mass446.15
IUPAC Name4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol
SMILESOc1ccc(-c2c(O)c(-c3ccccc3)c(O)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C30H22O4/c31-23-15-11-21(12-16-23)26-25(19-7-3-1-4-8-19)27(22-13-17-24(32)18-14-22)30(34)28(29(26)33)20-9-5-2-6-10-20/h1-18,31-34H
InChIKeyFPILXQJNFGSCAO-UHFFFAOYSA-N
XLogP7.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 57.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030
benzene;1,1'-biphenyl;phenol
CID 159528072
phenol;titanium(2+)
CID 23042599
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
CID 54527880
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
carbanide;hafnium;phenol
CID 19956495
4-(9,10-diphenylanthracen-1-yl)phenol
CID 150494593
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
1,2,3,4,5,6-hexakis-phenylbenzene;phenylphosphane
CID 158387148
4-nitro-2,3,5,6-tetraphenylphenol
CID 118436800

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol?
The IUPAC name of 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol (CID 158101675) is 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol.
What is the SMILES notation for 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol?
The canonical SMILES for 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol is Oc1ccc(-c2c(O)c(-c3ccccc3)c(O)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol?
The InChIKey is FPILXQJNFGSCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O4/c31-23-15-11-21(12-16-23)26-25(19-7-3-1-4-8-19)27(22-13-17-24(32)18-14-22)30(34)28(29(26)33)20-9-5-2-6-10-20/h1-18,31-34H.
What are the key properties of 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol?
4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol has a molecular weight of 446.50 g/mol, XLogP of 7.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol is sourced from PubChem (CID 158101675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).