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

C43H41N3 — CID 59219843

IUPAC10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
SMILESc1ccc(-c2c3cc(N4CCCCC4)ccc3c(N3c4ccccc4Cc4ccccc43)c3cc(N4CCCCC4)ccc23)cc1
InChIInChI=1S/C43H41N3/c1-4-14-31(15-5-1)42-36-22-20-35(45-26-12-3-13-27-45)30-39(36)43(37-23-21-34(29-38(37)42)44-24-10-2-11-25-44)46-40-18-8-6-16-32(40)28-33-17-7-9-19-41(33)46/h1,4-9,14-23,29-30H,2-3,10-13,24-28H2
InChIKeyMILDUYXFTPWVQW-UHFFFAOYSA-N
MW599.82 g/mol
LogP11.01
Rot. Bonds4

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

10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine (PubChem CID 59219843) has the molecular formula C43H41N3 and a molecular weight of 599.82 g/mol. Its IUPAC name is 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine.

Molecular Properties

Compound Name10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
PubChem CID59219843
Molecular FormulaC43H41N3
Molecular Weight599.82 g/mol
Exact Mass599.33
IUPAC Name10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
SMILESc1ccc(-c2c3cc(N4CCCCC4)ccc3c(N3c4ccccc4Cc4ccccc43)c3cc(N4CCCCC4)ccc23)cc1
InChIInChI=1S/C43H41N3/c1-4-14-31(15-5-1)42-36-22-20-35(45-26-12-3-13-27-45)30-39(36)43(37-23-21-34(29-38(37)42)44-24-10-2-11-25-44)46-40-18-8-6-16-32(40)28-33-17-7-9-19-41(33)46/h1,4-9,14-23,29-30H,2-3,10-13,24-28H2
InChIKeyMILDUYXFTPWVQW-UHFFFAOYSA-N
XLogP11.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.82
LogP ≤ 511.01
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-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
CID 59219557
1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219481
10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine
CID 59220201
1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220156
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
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
1-[9-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-10-phenyl-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219954
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
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220889
10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine
CID 59220915
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

Frequently Asked Questions

What is the IUPAC name of 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
The IUPAC name of 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine (CID 59219843) is 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine.
What is the SMILES notation for 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
The canonical SMILES for 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine is c1ccc(-c2c3cc(N4CCCCC4)ccc3c(N3c4ccccc4Cc4ccccc43)c3cc(N4CCCCC4)ccc23)cc1.
What is the InChIKey of 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
The InChIKey is MILDUYXFTPWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41N3/c1-4-14-31(15-5-1)42-36-22-20-35(45-26-12-3-13-27-45)30-39(36)43(37-23-21-34(29-38(37)42)44-24-10-2-11-25-44)46-40-18-8-6-16-32(40)28-33-17-7-9-19-41(33)46/h1,4-9,14-23,29-30H,2-3,10-13,24-28H2.
What are the key properties of 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine?
10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine has a molecular weight of 599.82 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine is sourced from PubChem (CID 59219843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).