1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

C46H42N2 — CID 59219481

IUPAC1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
SMILESc1ccc(-c2ccc3cc(-c4c5ccc(N6CCCCC6)cc5c(-c5ccccc5)c5ccc(N6CCCCC6)cc45)ccc3c2)cc1
InChIInChI=1S/C46H42N2/c1-5-13-33(14-6-1)35-17-18-37-30-38(20-19-36(37)29-35)46-42-24-22-39(47-25-9-3-10-26-47)31-43(42)45(34-15-7-2-8-16-34)41-23-21-40(32-44(41)46)48-27-11-4-12-28-48/h1-2,5-8,13-24,29-32H,3-4,9-12,25-28H2
InChIKeySBNJOAZWKSXHBD-UHFFFAOYSA-N
MW622.86 g/mol
LogP12.13
Rot. Bonds5

About 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (PubChem CID 59219481) has the molecular formula C46H42N2 and a molecular weight of 622.86 g/mol. Its IUPAC name is 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

Molecular Properties

Compound Name1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
PubChem CID59219481
Molecular FormulaC46H42N2
Molecular Weight622.86 g/mol
Exact Mass622.33
IUPAC Name1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
SMILESc1ccc(-c2ccc3cc(-c4c5ccc(N6CCCCC6)cc5c(-c5ccccc5)c5ccc(N6CCCCC6)cc45)ccc3c2)cc1
InChIInChI=1S/C46H42N2/c1-5-13-33(14-6-1)35-17-18-37-30-38(20-19-36(37)29-35)46-42-24-22-39(47-25-9-3-10-26-47)31-43(42)45(34-15-7-2-8-16-34)41-23-21-40(32-44(41)46)48-27-11-4-12-28-48/h1-2,5-8,13-24,29-32H,3-4,9-12,25-28H2
InChIKeySBNJOAZWKSXHBD-UHFFFAOYSA-N
XLogP12.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.86
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220156
1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219664
1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine
CID 59219893
1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 89111153
1-[9-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-10-phenyl-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219954
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
CID 59219557
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571

Frequently Asked Questions

What is the IUPAC name of 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?
The IUPAC name of 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (CID 59219481) is 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.
What is the SMILES notation for 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?
The canonical SMILES for 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is c1ccc(-c2ccc3cc(-c4c5ccc(N6CCCCC6)cc5c(-c5ccccc5)c5ccc(N6CCCCC6)cc45)ccc3c2)cc1.
What is the InChIKey of 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?
The InChIKey is SBNJOAZWKSXHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N2/c1-5-13-33(14-6-1)35-17-18-37-30-38(20-19-36(37)29-35)46-42-24-22-39(47-25-9-3-10-26-47)31-43(42)45(34-15-7-2-8-16-34)41-23-21-40(32-44(41)46)48-27-11-4-12-28-48/h1-2,5-8,13-24,29-32H,3-4,9-12,25-28H2.
What are the key properties of 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?
1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine has a molecular weight of 622.86 g/mol, XLogP of 12.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is sourced from PubChem (CID 59219481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).