N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine

C41H26N2O — CID 163942199

About N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine

N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine (PubChem CID 163942199) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine.

Molecular Properties

• Compound Name: N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
• PubChem CID: 163942199
• Molecular Formula: C41H26N2O
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.20
• IUPAC Name: N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4ccc5ccc6ccccc6c5c4c3)c3nccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-18-21-32(22-19-28)43(41-40-36(24-25-42-41)35-12-6-7-13-38(35)44-40)33-23-20-30-15-17-31-16-14-29-10-4-5-11-34(29)39(31)37(30)26-33/h1-26H
• InChIKey: RRYWWLNHRLUYMC-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 29.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	11.58
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 N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?

The IUPAC name of N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine (CID 163942199) is N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine.

What is the SMILES notation for N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?

The canonical SMILES for N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine is c1ccc(-c2ccc(N(c3ccc4ccc5ccc6ccccc6c5c4c3)c3nccc4c3oc3ccccc34)cc2)cc1.

What is the InChIKey of N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?

The InChIKey is RRYWWLNHRLUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-18-21-32(22-19-28)43(41-40-36(24-25-42-41)35-12-6-7-13-38(35)44-40)33-23-20-30-15-17-31-16-14-29-10-4-5-11-34(29)39(31)37(30)26-33/h1-26H.

What are the key properties of N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?

N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine has a molecular weight of 562.67 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine is sourced from PubChem (CID 163942199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).