[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone

C66H53NO2 — CID 142369827

IUPAC[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)c(C(=O)c3ccc(C)cc3)cc2-c2ccc(C3=Cc4ccccc4C(C)(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C66H53NO2/c1-42-23-27-47(28-24-42)63(68)55-41-54(46-35-37-50(38-36-46)67-61-21-13-11-19-59(61)66(5,6)60-20-12-14-22-62(60)67)56(64(69)48-29-25-43(2)26-30-48)40-53(55)45-33-31-44(32-34-45)52-39-49-15-7-9-17-57(49)65(3,4)58-18-10-8-16-51(52)58/h7-41H,1-6H3
InChIKeyGEYYOZIKTAERFK-UHFFFAOYSA-N
MW892.15 g/mol
LogP16.44
Rot. Bonds8

About [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone

[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 142369827) has the molecular formula C66H53NO2 and a molecular weight of 892.15 g/mol. Its IUPAC name is [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
PubChem CID142369827
Molecular FormulaC66H53NO2
Molecular Weight892.15 g/mol
Exact Mass891.41
IUPAC Name[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)c(C(=O)c3ccc(C)cc3)cc2-c2ccc(C3=Cc4ccccc4C(C)(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C66H53NO2/c1-42-23-27-47(28-24-42)63(68)55-41-54(46-35-37-50(38-36-46)67-61-21-13-11-19-59(61)66(5,6)60-20-12-14-22-62(60)67)56(64(69)48-29-25-43(2)26-30-48)40-53(55)45-33-31-44(32-34-45)52-39-49-15-7-9-17-57(49)65(3,4)58-18-10-8-16-51(52)58/h7-41H,1-6H3
InChIKeyGEYYOZIKTAERFK-UHFFFAOYSA-N
XLogP16.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.15
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
CID 145320537
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
CID 157350494
[2-(9,9-dimethylacridin-10-yl)phenyl]-(4-phenylphenyl)methanone
CID 71007112
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine
CID 177422791
[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone
CID 130181416
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole
CID 58501385
dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 147737150
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403

Frequently Asked Questions

What is the IUPAC name of [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone (CID 142369827) is [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)c(C(=O)c3ccc(C)cc3)cc2-c2ccc(C3=Cc4ccccc4C(C)(C)c4ccccc43)cc2)cc1.
What is the InChIKey of [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is GEYYOZIKTAERFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53NO2/c1-42-23-27-47(28-24-42)63(68)55-41-54(46-35-37-50(38-36-46)67-61-21-13-11-19-59(61)66(5,6)60-20-12-14-22-62(60)67)56(64(69)48-29-25-43(2)26-30-48)40-53(55)45-33-31-44(32-34-45)52-39-49-15-7-9-17-57(49)65(3,4)58-18-10-8-16-51(52)58/h7-41H,1-6H3.
What are the key properties of [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 892.15 g/mol, XLogP of 16.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 142369827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).