ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine

C71H48N2 — CID 145210747

About ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine

ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine (PubChem CID 145210747) has the molecular formula C71H48N2 and a molecular weight of 929.18 g/mol. Its IUPAC name is ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine.

Molecular Properties

• Compound Name: ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine
• PubChem CID: 145210747
• Molecular Formula: C71H48N2
• Molecular Weight: 929.18 g/mol
• Exact Mass: 928.38
• IUPAC Name: ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine
• SMILES: C=C.c1ccc(-c2cccc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)c2)nc1.c1ccc2c(c1)-c1cccc3cc(-c4ccc5cc(Cc6ccncc6)ccc5c4)cc-2c13
• InChI: InChI=1S/C37H23N.C32H21N.C2H4/c1-2-11-33-32(10-1)34-12-6-9-30-22-31(23-35(33)37(30)34)28-17-16-26-19-25(14-15-27(26)20-28)24-7-5-8-29(21-24)36-13-3-4-18-38-36;1-2-6-29-28(5-1)30-7-3-4-26-19-27(20-31(29)32(26)30)25-11-10-23-17-22(8-9-24(23)18-25)16-21-12-14-33-15-13-21;1-2/h1-23H;1-15,17-20H,16H2;1-2H2
• InChIKey: DKXWJDXYKOBEKT-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.18
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine?

The IUPAC name of ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine (CID 145210747) is ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine.

What is the SMILES notation for ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine?

The canonical SMILES for ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine is C=C.c1ccc(-c2cccc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)c2)nc1.c1ccc2c(c1)-c1cccc3cc(-c4ccc5cc(Cc6ccncc6)ccc5c4)cc-2c13.

What is the InChIKey of ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine?

The InChIKey is DKXWJDXYKOBEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N.C32H21N.C2H4/c1-2-11-33-32(10-1)34-12-6-9-30-22-31(23-35(33)37(30)34)28-17-16-26-19-25(14-15-27(26)20-28)24-7-5-8-29(21-24)36-13-3-4-18-38-36;1-2-6-29-28(5-1)30-7-3-4-26-19-27(20-31(29)32(26)30)25-11-10-23-17-22(8-9-24(23)18-25)16-21-12-14-33-15-13-21;1-2/h1-23H;1-15,17-20H,16H2;1-2H2.

What are the key properties of ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine?

ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine has a molecular weight of 929.18 g/mol, XLogP of 19.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;4-[(6-fluoranthen-2-ylnaphthalen-2-yl)methyl]pyridine;2-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine is sourced from PubChem (CID 145210747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).