2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione

C34H26N4O3 — CID 13213807

IUPAC2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione
SMILESO=C1C(NN(c2ccccc2)c2ccccc2)=C(NN(c2ccccc2)c2ccccc2)C(=O)c2c(O)cccc21
InChIInChI=1S/C34H26N4O3/c39-29-23-13-22-28-30(29)34(41)32(36-38(26-18-9-3-10-19-26)27-20-11-4-12-21-27)31(33(28)40)35-37(24-14-5-1-6-15-24)25-16-7-2-8-17-25/h1-23,35-36,39H
InChIKeyKRMNLIUVMIITMX-UHFFFAOYSA-N
MW538.61 g/mol
LogP6.67
Rot. Bonds8

About 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione

2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione (PubChem CID 13213807) has the molecular formula C34H26N4O3 and a molecular weight of 538.61 g/mol. Its IUPAC name is 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione
PubChem CID13213807
Molecular FormulaC34H26N4O3
Molecular Weight538.61 g/mol
Exact Mass538.20
IUPAC Name2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione
SMILESO=C1C(NN(c2ccccc2)c2ccccc2)=C(NN(c2ccccc2)c2ccccc2)C(=O)c2c(O)cccc21
InChIInChI=1S/C34H26N4O3/c39-29-23-13-22-28-30(29)34(41)32(36-38(26-18-9-3-10-19-26)27-20-11-4-12-21-27)31(33(28)40)35-37(24-14-5-1-6-15-24)25-16-7-2-8-17-25/h1-23,35-36,39H
InChIKeyKRMNLIUVMIITMX-UHFFFAOYSA-N
XLogP6.67
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione?
The IUPAC name of 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione (CID 13213807) is 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione.
What is the SMILES notation for 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione?
The canonical SMILES for 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione is O=C1C(NN(c2ccccc2)c2ccccc2)=C(NN(c2ccccc2)c2ccccc2)C(=O)c2c(O)cccc21.
What is the InChIKey of 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione?
The InChIKey is KRMNLIUVMIITMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O3/c39-29-23-13-22-28-30(29)34(41)32(36-38(26-18-9-3-10-19-26)27-20-11-4-12-21-27)31(33(28)40)35-37(24-14-5-1-6-15-24)25-16-7-2-8-17-25/h1-23,35-36,39H.
What are the key properties of 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione?
2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione has a molecular weight of 538.61 g/mol, XLogP of 6.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione is sourced from PubChem (CID 13213807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).