1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione

C26H20N4O2 — CID 10251568

IUPAC1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCc3ccccc3)nnc(NCc3ccccc3)c21
InChIInChI=1S/C26H20N4O2/c31-23-19-13-7-8-14-20(19)24(32)22-21(23)25(27-15-17-9-3-1-4-10-17)29-30-26(22)28-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,27,29)(H,28,30)
InChIKeyYBXSCCIGNSCEIS-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.48
Rot. Bonds6

About 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione

1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione (PubChem CID 10251568) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione.

Molecular Properties

Compound Name1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione
PubChem CID10251568
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCc3ccccc3)nnc(NCc3ccccc3)c21
InChIInChI=1S/C26H20N4O2/c31-23-19-13-7-8-14-20(19)24(32)22-21(23)25(27-15-17-9-3-1-4-10-17)29-30-26(22)28-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,27,29)(H,28,30)
InChIKeyYBXSCCIGNSCEIS-UHFFFAOYSA-N
XLogP4.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione?
The IUPAC name of 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione (CID 10251568) is 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione.
What is the SMILES notation for 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione?
The canonical SMILES for 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione is O=C1c2ccccc2C(=O)c2c(NCc3ccccc3)nnc(NCc3ccccc3)c21.
What is the InChIKey of 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione?
The InChIKey is YBXSCCIGNSCEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c31-23-19-13-7-8-14-20(19)24(32)22-21(23)25(27-15-17-9-3-1-4-10-17)29-30-26(22)28-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,27,29)(H,28,30).
What are the key properties of 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione?
1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione has a molecular weight of 420.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(benzylamino)benzo[g]phthalazine-5,10-dione is sourced from PubChem (CID 10251568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).