10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine

C56H38N2 — CID 59219788

IUPAC10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
SMILESc1ccc(-c2c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc23)cc1
InChIInChI=1S/C56H38N2/c1-2-16-38(17-3-1)55-47-31-29-44(58-53-27-12-7-20-41(53)34-42-21-8-13-28-54(42)58)36-50(47)56(46-24-14-22-37-15-4-9-23-45(37)46)48-32-30-43(35-49(48)55)57-51-25-10-5-18-39(51)33-40-19-6-11-26-52(40)57/h1-32,35-36H,33-34H2
InChIKeyKTALWKXKVRATHC-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.23
Rot. Bonds4

About 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine

10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine (PubChem CID 59219788) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine.

Molecular Properties

Compound Name10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
PubChem CID59219788
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
SMILESc1ccc(-c2c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc23)cc1
InChIInChI=1S/C56H38N2/c1-2-16-38(17-3-1)55-47-31-29-44(58-53-27-12-7-20-41(53)34-42-21-8-13-28-54(42)58)36-50(47)56(46-24-14-22-37-15-4-9-23-45(37)46)48-32-30-43(35-49(48)55)57-51-25-10-5-18-39(51)33-40-19-6-11-26-52(40)57/h1-32,35-36H,33-34H2
InChIKeyKTALWKXKVRATHC-UHFFFAOYSA-N
XLogP15.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.23
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

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
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
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
6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine
CID 89090559
11-[9-naphthalen-1-yl-10-phenyl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6,7,8-tetrahydrobenzo[b][1]benzazepine
CID 89111273
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220855
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
CID 59220904
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine?
The IUPAC name of 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine (CID 59219788) is 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine.
What is the SMILES notation for 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine?
The canonical SMILES for 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine is c1ccc(-c2c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc23)cc1.
What is the InChIKey of 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine?
The InChIKey is KTALWKXKVRATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-2-16-38(17-3-1)55-47-31-29-44(58-53-27-12-7-20-41(53)34-42-21-8-13-28-54(42)58)36-50(47)56(46-24-14-22-37-15-4-9-23-45(37)46)48-32-30-43(35-49(48)55)57-51-25-10-5-18-39(51)33-40-19-6-11-26-52(40)57/h1-32,35-36H,33-34H2.
What are the key properties of 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine?
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine has a molecular weight of 738.93 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine is sourced from PubChem (CID 59219788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).