2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine

C37H25N3O — CID 129127648

About 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine

2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine (PubChem CID 129127648) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine.

Molecular Properties

• Compound Name: 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine
• PubChem CID: 129127648
• Molecular Formula: C37H25N3O
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.20
• IUPAC Name: 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine
• SMILES: C=Cc1oc2ccc3c(-c4cccc(-c5ccc6c7ccccc7nn6c5)c4)nc4ccccc4c3c2c1/C=C\C
• InChI: InChI=1S/C37H25N3O/c1-3-10-28-33(4-2)41-34-20-18-29-35(36(28)34)27-14-6-7-15-30(27)38-37(29)24-12-9-11-23(21-24)25-17-19-32-26-13-5-8-16-31(26)39-40(32)22-25/h3-22H,2H2,1H3/b10-3-
• InChIKey: OZJHYDXPAVBGIS-KMKOMSMNSA-N
• XLogP: 9.95
• TPSA: 43.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine?

The IUPAC name of 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine (CID 129127648) is 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine.

What is the SMILES notation for 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine?

The canonical SMILES for 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine is C=Cc1oc2ccc3c(-c4cccc(-c5ccc6c7ccccc7nn6c5)c4)nc4ccccc4c3c2c1/C=C\C.

What is the InChIKey of 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine?

The InChIKey is OZJHYDXPAVBGIS-KMKOMSMNSA-N. The full InChI is InChI=1S/C37H25N3O/c1-3-10-28-33(4-2)41-34-20-18-29-35(36(28)34)27-14-6-7-15-30(27)38-37(29)24-12-9-11-23(21-24)25-17-19-32-26-13-5-8-16-31(26)39-40(32)22-25/h3-22H,2H2,1H3/b10-3-.

What are the key properties of 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine?

2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine has a molecular weight of 527.63 g/mol, XLogP of 9.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine is sourced from PubChem (CID 129127648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).