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

C58H38N4 — CID 59220904

IUPAC10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3nccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3nccc4ccccc34)c2c1
InChIInChI=1S/C58H38N4/c1-7-19-45-37(13-1)29-31-59-57(45)55-47-27-25-44(62-53-23-11-5-17-41(53)34-42-18-6-12-24-54(42)62)36-50(47)56(58-46-20-8-2-14-38(46)30-32-60-58)48-28-26-43(35-49(48)55)61-51-21-9-3-15-39(51)33-40-16-4-10-22-52(40)61/h1-32,35-36H,33-34H2
InChIKeySIPJKBIAAOZHBT-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.17
Rot. Bonds4

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

10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine (PubChem CID 59220904) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine.

Molecular Properties

Compound Name10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
PubChem CID59220904
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3nccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3nccc4ccccc34)c2c1
InChIInChI=1S/C58H38N4/c1-7-19-45-37(13-1)29-31-59-57(45)55-47-27-25-44(62-53-23-11-5-17-41(53)34-42-18-6-12-24-54(42)62)36-50(47)56(58-46-20-8-2-14-38(46)30-32-60-58)48-28-26-43(35-49(48)55)61-51-21-9-3-15-39(51)33-40-16-4-10-22-52(40)61/h1-32,35-36H,33-34H2
InChIKeySIPJKBIAAOZHBT-UHFFFAOYSA-N
XLogP15.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[6-(4,9-dihydro-3H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
CID 89000018
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89110896
10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine
CID 59220201
10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine
CID 59220915
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220351
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220622
10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine
CID 89090746
10-[6-(9,9-dimethylacridin-10-yl)-9-isoquinolin-1-yl-10-(6-methyl-1,5,6,8a-tetrahydroisoquinolin-1-yl)anthracen-2-yl]-9,9-dimethylacridine
CID 163464304
11-(3-isoquinolin-1-ylphenyl)-3,8-dimethyl-5,6-dihydrobenzo[b][1]benzazepine
CID 140607034
2-[4-[2,6-bis(9H-acridin-10-yl)-10-naphthalen-2-ylanthracen-9-yl]phenyl]-1,3-benzothiazole
CID 59220641
10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine
CID 59220847

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine?
The IUPAC name of 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine (CID 59220904) is 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine.
What is the SMILES notation for 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine?
The canonical SMILES for 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine is c1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3nccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3nccc4ccccc34)c2c1.
What is the InChIKey of 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine?
The InChIKey is SIPJKBIAAOZHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-7-19-45-37(13-1)29-31-59-57(45)55-47-27-25-44(62-53-23-11-5-17-41(53)34-42-18-6-12-24-54(42)62)36-50(47)56(58-46-20-8-2-14-38(46)30-32-60-58)48-28-26-43(35-49(48)55)61-51-21-9-3-15-39(51)33-40-16-4-10-22-52(40)61/h1-32,35-36H,33-34H2.
What are the key properties of 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine?
10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine has a molecular weight of 790.97 g/mol, XLogP of 15.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine is sourced from PubChem (CID 59220904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).