10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine

C44H43N3 — CID 59219557

IUPAC10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
SMILESCN1c2ccccc2Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccccc4)c4ccc(N5CCCCC5)cc34)cc21
InChIInChI=1S/C44H43N3/c1-45-41-16-8-7-15-32(41)27-33-17-18-34(28-42(33)45)44-38-22-20-35(46-23-9-3-10-24-46)29-39(38)43(31-13-5-2-6-14-31)37-21-19-36(30-40(37)44)47-25-11-4-12-26-47/h2,5-8,13-22,28-30H,3-4,9-12,23-27H2,1H3
InChIKeyMXGQUJOJBFTBGZ-UHFFFAOYSA-N
MW613.85 g/mol
LogP10.98
Rot. Bonds4

About 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine

10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine (PubChem CID 59219557) has the molecular formula C44H43N3 and a molecular weight of 613.85 g/mol. Its IUPAC name is 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine.

Molecular Properties

Compound Name10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
PubChem CID59219557
Molecular FormulaC44H43N3
Molecular Weight613.85 g/mol
Exact Mass613.35
IUPAC Name10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
SMILESCN1c2ccccc2Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccccc4)c4ccc(N5CCCCC5)cc34)cc21
InChIInChI=1S/C44H43N3/c1-45-41-16-8-7-15-32(41)27-33-17-18-34(28-42(33)45)44-38-22-20-35(46-23-9-3-10-24-46)29-39(38)43(31-13-5-2-6-14-31)37-21-19-36(30-40(37)44)47-25-11-4-12-26-47/h2,5-8,13-22,28-30H,3-4,9-12,23-27H2,1H3
InChIKeyMXGQUJOJBFTBGZ-UHFFFAOYSA-N
XLogP10.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.85
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
CID 59219843
10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine
CID 59195702
11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine
CID 59220517
1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219481
1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220156
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
CID 59195977
1-[9-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-10-phenyl-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219954
10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine
CID 59220201
1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 89111153
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
CID 59220247
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
CID 59195073

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
The IUPAC name of 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine (CID 59219557) is 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine.
What is the SMILES notation for 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
The canonical SMILES for 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine is CN1c2ccccc2Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccccc4)c4ccc(N5CCCCC5)cc34)cc21.
What is the InChIKey of 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
The InChIKey is MXGQUJOJBFTBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N3/c1-45-41-16-8-7-15-32(41)27-33-17-18-34(28-42(33)45)44-38-22-20-35(46-23-9-3-10-24-46)29-39(38)43(31-13-5-2-6-14-31)37-21-19-36(30-40(37)44)47-25-11-4-12-26-47/h2,5-8,13-22,28-30H,3-4,9-12,23-27H2,1H3.
What are the key properties of 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine has a molecular weight of 613.85 g/mol, XLogP of 10.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine is sourced from PubChem (CID 59219557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).