4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol

C72H52N4O4 — CID 139051954

IUPAC4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol
SMILESOc1ccc(C(=C(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(=C(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/2C36H26N2O2/c2*39-33-13-9-31(10-14-33)36(32-11-15-34(40)16-12-32)35(29-5-1-25(2-6-29)27-17-21-37-22-18-27)30-7-3-26(4-8-30)28-19-23-38-24-20-28/h2*1-24,39-40H
InChIKeyPKBOBFODAVUODD-UHFFFAOYSA-N
MW1037.23 g/mol
LogP16.46
Rot. Bonds12

About 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol

4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol (PubChem CID 139051954) has the molecular formula C72H52N4O4 and a molecular weight of 1037.23 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol
PubChem CID139051954
Molecular FormulaC72H52N4O4
Molecular Weight1037.23 g/mol
Exact Mass1036.40
IUPAC Name4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol
SMILESOc1ccc(C(=C(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(=C(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/2C36H26N2O2/c2*39-33-13-9-31(10-14-33)36(32-11-15-34(40)16-12-32)35(29-5-1-25(2-6-29)27-17-21-37-22-18-27)30-7-3-26(4-8-30)28-19-23-38-24-20-28/h2*1-24,39-40H
InChIKeyPKBOBFODAVUODD-UHFFFAOYSA-N
XLogP16.46
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.23
LogP ≤ 516.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
4-[3-(4-Hydroxyphenyl)-4-pyridinyl]phenol
CID 137125251
4-[1-(4-Hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
CID 166625710
4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylprop-1-enyl]phenol
CID 166628679
4-[1-(4-Hydroxyphenyl)-2-(pyridin-3-ylmethyl)but-1-enyl]phenol
CID 166629948
4-[1-(4-Hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
CID 166634744
4-[2-Ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
CID 166635135
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
4-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091039
4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol
CID 166627916

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol (CID 139051954) is 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol is Oc1ccc(C(=C(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(=C(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol?
The InChIKey is PKBOBFODAVUODD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H26N2O2/c2*39-33-13-9-31(10-14-33)36(32-11-15-34(40)16-12-32)35(29-5-1-25(2-6-29)27-17-21-37-22-18-27)30-7-3-26(4-8-30)28-19-23-38-24-20-28/h2*1-24,39-40H.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol?
4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol has a molecular weight of 1037.23 g/mol, XLogP of 16.46, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol is sourced from PubChem (CID 139051954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).