2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine

C41H25N3 — CID 159756305

About 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 159756305) has the molecular formula C41H25N3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine
• PubChem CID: 159756305
• Molecular Formula: C41H25N3
• Molecular Weight: 559.67 g/mol
• Exact Mass: 559.20
• IUPAC Name: 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine
• SMILES: c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5ccc6ccc7ccccc7c6c45)n3)ccc2c1
• InChI: InChI=1S/C41H25N3/c1-3-11-31-24-33(22-16-26(31)8-1)39-42-40(34-23-17-27-9-2-4-12-32(27)25-34)44-41(43-39)36-15-7-13-29-20-21-30-19-18-28-10-5-6-14-35(28)37(30)38(29)36/h1-25H
• InChIKey: YIZOEDKGTWNEKX-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine?

The IUPAC name of 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 159756305) is 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine?

The canonical SMILES for 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5ccc6ccc7ccccc7c6c45)n3)ccc2c1.

What is the InChIKey of 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine?

The InChIKey is YIZOEDKGTWNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3/c1-3-11-31-24-33(22-16-26(31)8-1)39-42-40(34-23-17-27-9-2-4-12-32(27)25-34)44-41(43-39)36-15-7-13-29-20-21-30-19-18-28-10-5-6-14-35(28)37(30)38(29)36/h1-25H.

What are the key properties of 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine?

2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 559.67 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzo[c]phenanthren-1-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 159756305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).