7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole

C40H28N4O3 — CID 59561578

About 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole

7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole (PubChem CID 59561578) has the molecular formula C40H28N4O3 and a molecular weight of 612.69 g/mol. Its IUPAC name is 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole
• PubChem CID: 59561578
• Molecular Formula: C40H28N4O3
• Molecular Weight: 612.69 g/mol
• Exact Mass: 612.22
• IUPAC Name: 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole
• SMILES: C=CCOc1ccc2c3ncccc3n(-c3ccc4oc5ccc(-n6c7cc(OCC=C)ccc7c7ncccc76)cc5c4c3)c2c1
• InChI: InChI=1S/C40H28N4O3/c1-3-19-45-27-11-13-29-35(23-27)43(33-7-5-17-41-39(29)33)25-9-15-37-31(21-25)32-22-26(10-16-38(32)47-37)44-34-8-6-18-42-40(34)30-14-12-28(24-36(30)44)46-20-4-2/h3-18,21-24H,1-2,19-20H2
• InChIKey: RWCDCHOJHQZLNK-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 67.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.69
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

The IUPAC name of 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole (CID 59561578) is 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole.

What is the SMILES notation for 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

The canonical SMILES for 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole is C=CCOc1ccc2c3ncccc3n(-c3ccc4oc5ccc(-n6c7cc(OCC=C)ccc7c7ncccc76)cc5c4c3)c2c1.

What is the InChIKey of 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

The InChIKey is RWCDCHOJHQZLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O3/c1-3-19-45-27-11-13-29-35(23-27)43(33-7-5-17-41-39(29)33)25-9-15-37-31(21-25)32-22-26(10-16-38(32)47-37)44-34-8-6-18-42-40(34)30-14-12-28(24-36(30)44)46-20-4-2/h3-18,21-24H,1-2,19-20H2.

What are the key properties of 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole has a molecular weight of 612.69 g/mol, XLogP of 9.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 59561578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).