[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone

C57H48N2O — CID 145320537

IUPAC[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)c(C)cc2-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C57H48N2O/c1-37-23-25-41(26-24-37)55(60)46-36-44(39-27-31-42(32-28-39)58-51-19-11-7-15-47(51)56(3,4)48-16-8-12-20-52(48)58)38(2)35-45(46)40-29-33-43(34-30-40)59-53-21-13-9-17-49(53)57(5,6)50-18-10-14-22-54(50)59/h7-36H,1-6H3
InChIKeyWZEOCWAWQLUWKR-UHFFFAOYSA-N
MW777.02 g/mol
LogP15.09
Rot. Bonds6

About [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone

[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone (PubChem CID 145320537) has the molecular formula C57H48N2O and a molecular weight of 777.02 g/mol. Its IUPAC name is [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
PubChem CID145320537
Molecular FormulaC57H48N2O
Molecular Weight777.02 g/mol
Exact Mass776.38
IUPAC Name[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)c(C)cc2-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C57H48N2O/c1-37-23-25-41(26-24-37)55(60)46-36-44(39-27-31-42(32-28-39)58-51-19-11-7-15-47(51)56(3,4)48-16-8-12-20-52(48)58)38(2)35-45(46)40-29-33-43(34-30-40)59-53-21-13-9-17-49(53)57(5,6)50-18-10-14-22-54(50)59/h7-36H,1-6H3
InChIKeyWZEOCWAWQLUWKR-UHFFFAOYSA-N
XLogP15.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.02
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[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
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
CID 157350494
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
[2-(9,9-dimethylacridin-10-yl)phenyl]-(4-phenylphenyl)methanone
CID 71007112
[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine
CID 177422791
bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene
CID 142357191
dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 147737150
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone
CID 130181416
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442

Frequently Asked Questions

What is the IUPAC name of [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone (CID 145320537) is [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)c(C)cc2-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)cc1.
What is the InChIKey of [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone?
The InChIKey is WZEOCWAWQLUWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2O/c1-37-23-25-41(26-24-37)55(60)46-36-44(39-27-31-42(32-28-39)58-51-19-11-7-15-47(51)56(3,4)48-16-8-12-20-52(48)58)38(2)35-45(46)40-29-33-43(34-30-40)59-53-21-13-9-17-49(53)57(5,6)50-18-10-14-22-54(50)59/h7-36H,1-6H3.
What are the key properties of [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone?
[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone has a molecular weight of 777.02 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 145320537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).