ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole

C56H38N2 — CID 143828948

About ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole

ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 143828948) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

• Compound Name: ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
• PubChem CID: 143828948
• Molecular Formula: C56H38N2
• Molecular Weight: 738.93 g/mol
• Exact Mass: 738.30
• IUPAC Name: ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
• SMILES: C=C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc2)cc1
• InChI: InChI=1S/C54H34N2.C2H4/c1-2-13-37(14-3-1)53-55-51-20-10-11-21-52(51)56(53)42-28-24-36(25-29-42)40-26-30-45-46-31-27-41(39-23-22-35-12-4-5-15-38(35)32-39)34-50(46)54(49(45)33-40)47-18-8-6-16-43(47)44-17-7-9-19-48(44)54;1-2/h1-34H;1-2H2
• InChIKey: XALJHMRJZGHMEQ-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.93
LogP ≤ 5	14.33
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;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole?

The IUPAC name of ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole (CID 143828948) is ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole.

What is the SMILES notation for ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole?

The canonical SMILES for ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole is C=C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc2)cc1.

What is the InChIKey of ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole?

The InChIKey is XALJHMRJZGHMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2.C2H4/c1-2-13-37(14-3-1)53-55-51-20-10-11-21-52(51)56(53)42-28-24-36(25-29-42)40-26-30-45-46-31-27-41(39-23-22-35-12-4-5-15-38(35)32-39)34-50(46)54(49(45)33-40)47-18-8-6-16-43(47)44-17-7-9-19-48(44)54;1-2/h1-34H;1-2H2.

What are the key properties of ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole?

ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 738.93 g/mol, XLogP of 14.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 143828948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).