N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine

C41H26N2O — CID 166861288

About N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine

N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine (PubChem CID 166861288) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
• PubChem CID: 166861288
• Molecular Formula: C41H26N2O
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.20
• IUPAC Name: N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
• SMILES: c1ccc(N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c2oc2ccncc23)cc1
• InChI: InChI=1S/C41H26N2O/c1-2-10-30(11-3-1)43(38-16-8-15-35-37-26-42-24-23-39(37)44-41(35)38)31-21-19-28(20-22-31)36-25-29-18-17-27-9-4-5-12-32(27)40(29)34-14-7-6-13-33(34)36/h1-26H
• InChIKey: TZPRYDRPMKZNLX-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-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?

The IUPAC name of N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine (CID 166861288) is N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine.

What is the SMILES notation for N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?

The canonical SMILES for N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine is c1ccc(N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c2oc2ccncc23)cc1.

What is the InChIKey of N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?

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

What are the key properties of N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?

N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-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-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine is sourced from PubChem (CID 166861288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).