[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone

C72H57N3O3 — CID 121420430

IUPAC[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
SMILESCC1(C)c2ccccc2N(c2ccc(C(=O)c3cc(C(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)cc(C(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)c3)cc2)c2ccccc21
InChIInChI=1S/C72H57N3O3/c1-70(2)55-19-7-13-25-61(55)73(62-26-14-8-20-56(62)70)52-37-31-46(32-38-52)67(76)49-43-50(68(77)47-33-39-53(40-34-47)74-63-27-15-9-21-57(63)71(3,4)58-22-10-16-28-64(58)74)45-51(44-49)69(78)48-35-41-54(42-36-48)75-65-29-17-11-23-59(65)72(5,6)60-24-12-18-30-66(60)75/h7-45H,1-6H3
InChIKeyRHMKFZAEGAHMMZ-UHFFFAOYSA-N
MW1012.27 g/mol
LogP17.71
Rot. Bonds9

About [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone

[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone (PubChem CID 121420430) has the molecular formula C72H57N3O3 and a molecular weight of 1012.27 g/mol. Its IUPAC name is [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone.

Molecular Properties

Compound Name[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
PubChem CID121420430
Molecular FormulaC72H57N3O3
Molecular Weight1012.27 g/mol
Exact Mass1011.44
IUPAC Name[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
SMILESCC1(C)c2ccccc2N(c2ccc(C(=O)c3cc(C(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)cc(C(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)c3)cc2)c2ccccc21
InChIInChI=1S/C72H57N3O3/c1-70(2)55-19-7-13-25-61(55)73(62-26-14-8-20-56(62)70)52-37-31-46(32-38-52)67(76)49-43-50(68(77)47-33-39-53(40-34-47)74-63-27-15-9-21-57(63)71(3,4)58-22-10-16-28-64(58)74)45-51(44-49)69(78)48-35-41-54(42-36-48)75-65-29-17-11-23-59(65)72(5,6)60-24-12-18-30-66(60)75/h7-45H,1-6H3
InChIKeyRHMKFZAEGAHMMZ-UHFFFAOYSA-N
XLogP17.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.27
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
The IUPAC name of [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone (CID 121420430) is [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone.
What is the SMILES notation for [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
The canonical SMILES for [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone is CC1(C)c2ccccc2N(c2ccc(C(=O)c3cc(C(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)cc(C(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)c3)cc2)c2ccccc21.
What is the InChIKey of [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
The InChIKey is RHMKFZAEGAHMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H57N3O3/c1-70(2)55-19-7-13-25-61(55)73(62-26-14-8-20-56(62)70)52-37-31-46(32-38-52)67(76)49-43-50(68(77)47-33-39-53(40-34-47)74-63-27-15-9-21-57(63)71(3,4)58-22-10-16-28-64(58)74)45-51(44-49)69(78)48-35-41-54(42-36-48)75-65-29-17-11-23-59(65)72(5,6)60-24-12-18-30-66(60)75/h7-45H,1-6H3.
What are the key properties of [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone has a molecular weight of 1012.27 g/mol, XLogP of 17.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone is sourced from PubChem (CID 121420430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).