8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine

C36H24N8 — CID 58895005

About 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine

8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine (PubChem CID 58895005) has the molecular formula C36H24N8 and a molecular weight of 568.64 g/mol. Its IUPAC name is 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine.

Molecular Properties

• Compound Name: 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine
• PubChem CID: 58895005
• Molecular Formula: C36H24N8
• Molecular Weight: 568.64 g/mol
• Exact Mass: 568.21
• IUPAC Name: 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine
• SMILES: c1ccc2c(c1)ccc1nc3c(N(c4ccncc4)c4ccncc4)ccc(N(c4ccncc4)c4ccncc4)c3nc12
• InChI: InChI=1S/C36H24N8/c1-2-4-30-25(3-1)5-6-31-34(30)42-36-33(44(28-13-21-39-22-14-28)29-15-23-40-24-16-29)8-7-32(35(36)41-31)43(26-9-17-37-18-10-26)27-11-19-38-20-12-27/h1-24H
• InChIKey: CHECTUDCUKURDI-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.64
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine?

The IUPAC name of 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine (CID 58895005) is 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine.

What is the SMILES notation for 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine?

The canonical SMILES for 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine is c1ccc2c(c1)ccc1nc3c(N(c4ccncc4)c4ccncc4)ccc(N(c4ccncc4)c4ccncc4)c3nc12.

What is the InChIKey of 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine?

The InChIKey is CHECTUDCUKURDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N8/c1-2-4-30-25(3-1)5-6-31-34(30)42-36-33(44(28-13-21-39-22-14-28)29-15-23-40-24-16-29)8-7-32(35(36)41-31)43(26-9-17-37-18-10-26)27-11-19-38-20-12-27/h1-24H.

What are the key properties of 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine?

8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine has a molecular weight of 568.64 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,8-N,11-N,11-N-tetrapyridin-4-ylbenzo[a]phenazine-8,11-diamine is sourced from PubChem (CID 58895005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).