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

C54H48N2 — CID 59220024

IUPAC1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine
SMILESC(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3cc(N4CCCCC4)ccc3c(-c3cccc4ccccc34)c3cc(N4CCCCC4)ccc23)c1
InChIInChI=1S/C54H48N2/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/h1-2,5-10,15-30,35-38H,3-4,11-14,31-34H2
InChIKeyBAPDENDHIQTDIQ-UHFFFAOYSA-N
MW724.99 g/mol
LogP14.05
Rot. Bonds7

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

1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine (PubChem CID 59220024) has the molecular formula C54H48N2 and a molecular weight of 724.99 g/mol. Its IUPAC name is 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine.

Molecular Properties

Compound Name1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine
PubChem CID59220024
Molecular FormulaC54H48N2
Molecular Weight724.99 g/mol
Exact Mass724.38
IUPAC Name1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine
SMILESC(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3cc(N4CCCCC4)ccc3c(-c3cccc4ccccc34)c3cc(N4CCCCC4)ccc23)c1
InChIInChI=1S/C54H48N2/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/h1-2,5-10,15-30,35-38H,3-4,11-14,31-34H2
InChIKeyBAPDENDHIQTDIQ-UHFFFAOYSA-N
XLogP14.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-yl-2,3-dihydroanthracen-2-yl]piperidine
CID 70930477
1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 158579064
1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219664
1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220156
1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine
CID 59219893
1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219481
9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene
CID 59858851
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline
CID 59183583
1-(4-naphthalen-1-ylphenyl)pyrrolidine
CID 168512103
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553

Frequently Asked Questions

What is the IUPAC name of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine?
The IUPAC name of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine (CID 59220024) is 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine.
What is the SMILES notation for 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine?
The canonical SMILES for 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine is C(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3cc(N4CCCCC4)ccc3c(-c3cccc4ccccc34)c3cc(N4CCCCC4)ccc23)c1.
What is the InChIKey of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine?
The InChIKey is BAPDENDHIQTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N2/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/h1-2,5-10,15-30,35-38H,3-4,11-14,31-34H2.
What are the key properties of 1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine?
1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine has a molecular weight of 724.99 g/mol, XLogP of 14.05, 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-ylanthracen-2-yl]piperidine is sourced from PubChem (CID 59220024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).