1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine

C54H50N2 — CID 70930477

About 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine

1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine (PubChem CID 70930477) has the molecular formula C54H50N2 and a molecular weight of 727.01 g/mol. Its IUPAC name is 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine.

Molecular Properties

• Compound Name: 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine
• PubChem CID: 70930477
• Molecular Formula: C54H50N2
• Molecular Weight: 727.01 g/mol
• Exact Mass: 726.40
• IUPAC Name: 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine
• SMILES: C(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3c(c(-c4cccc5ccccc45)c4cc(N5CCCCC5)ccc24)=CCC(N2CCCCC2)C=3)c1
• InChI: InChI=1S/C54H50N2/c1-5-18-41(19-6-1)50(42-20-7-2-8-21-42)36-39-17-15-24-43(35-39)53-48-29-27-45(56-33-13-4-14-34-56)38-52(48)54(47-26-16-23-40-22-9-10-25-46(40)47)49-30-28-44(37-51(49)53)55-31-11-3-12-32-55/h1-2,5-10,15-27,29-30,35-38,44H,3-4,11-14,28,31-34H2
• InChIKey: BSSLVOUOCDAFRK-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.01
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine?

The IUPAC name of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine (CID 70930477) is 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine.

What is the SMILES notation for 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine?

The canonical SMILES for 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine is C(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3c(c(-c4cccc5ccccc45)c4cc(N5CCCCC5)ccc24)=CCC(N2CCCCC2)C=3)c1.

What is the InChIKey of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine?

The InChIKey is BSSLVOUOCDAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N2/c1-5-18-41(19-6-1)50(42-20-7-2-8-21-42)36-39-17-15-24-43(35-39)53-48-29-27-45(56-33-13-4-14-34-56)38-52(48)54(47-26-16-23-40-22-9-10-25-46(40)47)49-30-28-44(37-51(49)53)55-31-11-3-12-32-55/h1-2,5-10,15-27,29-30,35-38,44H,3-4,11-14,28,31-34H2.

What are the key properties of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine?

1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine has a molecular weight of 727.01 g/mol, XLogP of 11.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine is sourced from PubChem (CID 70930477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).