5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine

C54H43N3 — CID 89071084

IUPAC5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
SMILESCC1(C)c2cc(/C=C/c3ccc(N4C5=C(CCC=C5)N(c5ccccc5)c5ccccc54)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C54H43N3/c1-54(2)46-34-38(28-32-44(46)45-33-31-43(36-47(45)54)57-48-18-8-6-14-39(48)35-40-15-7-9-19-49(40)57)25-24-37-26-29-42(30-27-37)56-52-22-12-10-20-50(52)55(41-16-4-3-5-17-41)51-21-11-13-23-53(51)56/h3-10,12-20,22-34,36H,11,21,35H2,1-2H3/b25-24+
InChIKeyOMTPWMONBYQQNE-OCOZRVBESA-N
MW733.96 g/mol
LogP14.39
Rot. Bonds5

About 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine

5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine (PubChem CID 89071084) has the molecular formula C54H43N3 and a molecular weight of 733.96 g/mol. Its IUPAC name is 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine.

Molecular Properties

Compound Name5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
PubChem CID89071084
Molecular FormulaC54H43N3
Molecular Weight733.96 g/mol
Exact Mass733.35
IUPAC Name5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
SMILESCC1(C)c2cc(/C=C/c3ccc(N4C5=C(CCC=C5)N(c5ccccc5)c5ccccc54)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C54H43N3/c1-54(2)46-34-38(28-32-44(46)45-33-31-43(36-47(45)54)57-48-18-8-6-14-39(48)35-40-15-7-9-19-49(40)57)25-24-37-26-29-42(30-27-37)56-52-22-12-10-20-50(52)55(41-16-4-3-5-17-41)51-21-11-13-23-53(51)56/h3-10,12-20,22-34,36H,11,21,35H2,1-2H3/b25-24+
InChIKeyOMTPWMONBYQQNE-OCOZRVBESA-N
XLogP14.39
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine 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

10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine
CID 89071765
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070738
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
CID 90875628
10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 89070799
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
11-[6-[(E)-2-[9,9-dimethyl-7-(10-phenylphenazin-5-yl)fluoren-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89071177
10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine
CID 89070944

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine?
The IUPAC name of 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine (CID 89071084) is 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine.
What is the SMILES notation for 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine?
The canonical SMILES for 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine is CC1(C)c2cc(/C=C/c3ccc(N4C5=C(CCC=C5)N(c5ccccc5)c5ccccc54)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21.
What is the InChIKey of 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine?
The InChIKey is OMTPWMONBYQQNE-OCOZRVBESA-N. The full InChI is InChI=1S/C54H43N3/c1-54(2)46-34-38(28-32-44(46)45-33-31-43(36-47(45)54)57-48-18-8-6-14-39(48)35-40-15-7-9-19-49(40)57)25-24-37-26-29-42(30-27-37)56-52-22-12-10-20-50(52)55(41-16-4-3-5-17-41)51-21-11-13-23-53(51)56/h3-10,12-20,22-34,36H,11,21,35H2,1-2H3/b25-24+.
What are the key properties of 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine?
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine has a molecular weight of 733.96 g/mol, XLogP of 14.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine is sourced from PubChem (CID 89071084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).