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

C63H52N4 — CID 163464304

IUPAC10-[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
SMILESCC1C=CC2C(=CC=NC2c2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c(-c3nccc4ccccc34)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc23)C1
InChIInChI=1S/C63H52N4/c1-39-26-29-45-41(36-39)33-35-65-61(45)59-47-31-28-42(66-54-22-12-8-18-50(54)62(2,3)51-19-9-13-23-55(51)66)37-48(47)58(60-44-17-7-6-16-40(44)32-34-64-60)46-30-27-43(38-49(46)59)67-56-24-14-10-20-52(56)63(4,5)53-21-11-15-25-57(53)67/h6-35,37-39,45,61H,36H2,1-5H3
InChIKeyBRFKIGJMQXLNDQ-UHFFFAOYSA-N
MW865.14 g/mol
LogP16.69
Rot. Bonds4

About 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

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 (PubChem CID 163464304) has the molecular formula C63H52N4 and a molecular weight of 865.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID163464304
Molecular FormulaC63H52N4
Molecular Weight865.14 g/mol
Exact Mass864.42
IUPAC Name10-[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
SMILESCC1C=CC2C(=CC=NC2c2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c(-c3nccc4ccccc34)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc23)C1
InChIInChI=1S/C63H52N4/c1-39-26-29-45-41(36-39)33-35-65-61(45)59-47-31-28-42(66-54-22-12-8-18-50(54)62(2,3)51-19-9-13-23-55(51)66)37-48(47)58(60-44-17-7-6-16-40(44)32-34-64-60)46-30-27-43(38-49(46)59)67-56-24-14-10-20-52(56)63(4,5)53-21-11-15-25-57(53)67/h6-35,37-39,45,61H,36H2,1-5H3
InChIKeyBRFKIGJMQXLNDQ-UHFFFAOYSA-N
XLogP16.69
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.14
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
CID 59220904
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine
CID 89111379
5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89110896
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043
10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111037
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909
10-[6-(1,2-dihydrophenothiazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-isoquinolin-1-ylanthracen-2-yl]-3,4-dihydrophenothiazine
CID 89111220
10-[6-(4,9-dihydro-3H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
CID 89000018
10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 153482873

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=CC2C(=CC=NC2c2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c(-c3nccc4ccccc34)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc23)C1.
What is the InChIKey of 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?
The InChIKey is BRFKIGJMQXLNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N4/c1-39-26-29-45-41(36-39)33-35-65-61(45)59-47-31-28-42(66-54-22-12-8-18-50(54)62(2,3)51-19-9-13-23-55(51)66)37-48(47)58(60-44-17-7-6-16-40(44)32-34-64-60)46-30-27-43(38-49(46)59)67-56-24-14-10-20-52(56)63(4,5)53-21-11-15-25-57(53)67/h6-35,37-39,45,61H,36H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 865.14 g/mol, XLogP of 16.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163464304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).