tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)

C46H42N4O6 — CID 71427322

IUPACtris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)
SMILESNc1ccccn1.Nc1ccccn1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/3C12H10O2.2C5H6N2/c3*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*6-5-3-1-2-4-7-5/h3*1-8,13-14H;2*1-4H,(H2,6,7)
InChIKeyPCMIXBAZZBLQQN-UHFFFAOYSA-N
MW746.86 g/mol
LogP9.62
Rot. Bonds3

About tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)

tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine) (PubChem CID 71427322) has the molecular formula C46H42N4O6 and a molecular weight of 746.86 g/mol. Its IUPAC name is tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine).

Molecular Properties

Compound Nametris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)
PubChem CID71427322
Molecular FormulaC46H42N4O6
Molecular Weight746.86 g/mol
Exact Mass746.31
IUPAC Nametris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)
SMILESNc1ccccn1.Nc1ccccn1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/3C12H10O2.2C5H6N2/c3*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*6-5-3-1-2-4-7-5/h3*1-8,13-14H;2*1-4H,(H2,6,7)
InChIKeyPCMIXBAZZBLQQN-UHFFFAOYSA-N
XLogP9.62
TPSA199.20 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.86
LogP ≤ 59.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)?
The IUPAC name of tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine) (CID 71427322) is tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine).
What is the SMILES notation for tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)?
The canonical SMILES for tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine) is Nc1ccccn1.Nc1ccccn1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)?
The InChIKey is PCMIXBAZZBLQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H10O2.2C5H6N2/c3*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*6-5-3-1-2-4-7-5/h3*1-8,13-14H;2*1-4H,(H2,6,7).
What are the key properties of tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)?
tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine) has a molecular weight of 746.86 g/mol, XLogP of 9.62, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine) is sourced from PubChem (CID 71427322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).