bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine

C100H76N6O8 — CID 139176334

IUPACbis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/2C32H26O4.3C12H8N2/c2*33-27-13-5-23(6-14-27)31(24-7-15-28(34)16-8-24)21-1-2-22(4-3-21)32(25-9-17-29(35)18-10-25)26-11-19-30(36)20-12-26;3*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h2*1-20,31-36H;3*1-8H
InChIKeyAJJKBGZTOOTLHX-UHFFFAOYSA-N
MW1489.74 g/mol
LogP22.09
Rot. Bonds12

About bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine

bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine (PubChem CID 139176334) has the molecular formula C100H76N6O8 and a molecular weight of 1489.74 g/mol. Its IUPAC name is bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine.

Molecular Properties

Compound Namebis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine
PubChem CID139176334
Molecular FormulaC100H76N6O8
Molecular Weight1489.74 g/mol
Exact Mass1488.57
IUPAC Namebis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/2C32H26O4.3C12H8N2/c2*33-27-13-5-23(6-14-27)31(24-7-15-28(34)16-8-24)21-1-2-22(4-3-21)32(25-9-17-29(35)18-10-25)26-11-19-30(36)20-12-26;3*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h2*1-20,31-36H;3*1-8H
InChIKeyAJJKBGZTOOTLHX-UHFFFAOYSA-N
XLogP22.09
TPSA239.18 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001489.74
LogP ≤ 522.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine?
The IUPAC name of bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine (CID 139176334) is bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine.
What is the SMILES notation for bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine?
The canonical SMILES for bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine is Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine?
The InChIKey is AJJKBGZTOOTLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H26O4.3C12H8N2/c2*33-27-13-5-23(6-14-27)31(24-7-15-28(34)16-8-24)21-1-2-22(4-3-21)32(25-9-17-29(35)18-10-25)26-11-19-30(36)20-12-26;3*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h2*1-20,31-36H;3*1-8H.
What are the key properties of bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine?
bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine has a molecular weight of 1489.74 g/mol, XLogP of 22.09, 12 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine is sourced from PubChem (CID 139176334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).