10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine

C58H50N2 — CID 89111087

IUPAC10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c(-c3ccc(C)cc3)c3ccc(N4C5=C(C=CCC5)C(C)(C)c5ccccc54)cc23)cc1
InChIInChI=1S/C58H50N2/c1-37-23-27-39(28-24-37)55-43-33-31-42(60-53-21-13-9-17-49(53)58(5,6)50-18-10-14-22-54(50)60)36-46(43)56(40-29-25-38(2)26-30-40)44-34-32-41(35-45(44)55)59-51-19-11-7-15-47(51)57(3,4)48-16-8-12-20-52(48)59/h7-13,15-21,23-36H,14,22H2,1-6H3
InChIKeyRQWWOMFJHRGXGA-UHFFFAOYSA-N
MW775.05 g/mol
LogP16.09
Rot. Bonds4

About 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine (PubChem CID 89111087) has the molecular formula C58H50N2 and a molecular weight of 775.05 g/mol. Its IUPAC name is 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
PubChem CID89111087
Molecular FormulaC58H50N2
Molecular Weight775.05 g/mol
Exact Mass774.40
IUPAC Name10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c(-c3ccc(C)cc3)c3ccc(N4C5=C(C=CCC5)C(C)(C)c5ccccc54)cc23)cc1
InChIInChI=1S/C58H50N2/c1-37-23-27-39(28-24-37)55-43-33-31-42(60-53-21-13-9-17-49(53)58(5,6)50-18-10-14-22-54(50)60)36-46(43)56(40-29-25-38(2)26-30-40)44-34-32-41(35-45(44)55)59-51-19-11-7-15-47(51)57(3,4)48-16-8-12-20-52(48)59/h7-13,15-21,23-36H,14,22H2,1-6H3
InChIKeyRQWWOMFJHRGXGA-UHFFFAOYSA-N
XLogP16.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.05
LogP ≤ 516.09
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

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
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89111108
10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909
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-(1,2-dihydrophenothiazin-10-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenanthren-9-ylanthracen-2-yl]phenothiazine
CID 89111189
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
14-[9,10-diphenyl-6-(2,7,9,9-tetramethylacridin-10-yl)anthracen-2-yl]-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213328
10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111204
5-(9,9-dimethylacridin-10-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,12(20),14,16,18-octaene
CID 143983593
10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
CID 89111126

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine (CID 89111087) is 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine is Cc1ccc(-c2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c(-c3ccc(C)cc3)c3ccc(N4C5=C(C=CCC5)C(C)(C)c5ccccc54)cc23)cc1.
What is the InChIKey of 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
The InChIKey is RQWWOMFJHRGXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N2/c1-37-23-27-39(28-24-37)55-43-33-31-42(60-53-21-13-9-17-49(53)58(5,6)50-18-10-14-22-54(50)60)36-46(43)56(40-29-25-38(2)26-30-40)44-34-32-41(35-45(44)55)59-51-19-11-7-15-47(51)57(3,4)48-16-8-12-20-52(48)59/h7-13,15-21,23-36H,14,22H2,1-6H3.
What are the key properties of 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 775.05 g/mol, XLogP of 16.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 89111087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).