10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine

C69H60N2 — CID 89071052

IUPAC10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine
SMILESCc1cccc2c1C(C)(C)c1ccccc1N2c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C69H60N2/c1-43-17-16-24-64-65(43)69(8,9)56-20-12-15-23-63(56)71(64)49-34-38-53-51-36-28-45(40-58(51)68(6,7)60(53)42-49)26-25-44-27-35-50-52-37-31-47(41-59(52)67(4,5)57(50)39-44)46-29-32-48(33-30-46)70-61-21-13-10-18-54(61)66(2,3)55-19-11-14-22-62(55)70/h10-42H,1-9H3/b26-25+
InChIKeyCHYPTCWOZXSAIV-OCEACIFDSA-N
MW917.25 g/mol
LogP18.66
Rot. Bonds5

About 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine

10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine (PubChem CID 89071052) has the molecular formula C69H60N2 and a molecular weight of 917.25 g/mol. Its IUPAC name is 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine.

Molecular Properties

Compound Name10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine
PubChem CID89071052
Molecular FormulaC69H60N2
Molecular Weight917.25 g/mol
Exact Mass916.48
IUPAC Name10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine
SMILESCc1cccc2c1C(C)(C)c1ccccc1N2c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C69H60N2/c1-43-17-16-24-64-65(43)69(8,9)56-20-12-15-23-63(56)71(64)49-34-38-53-51-36-28-45(40-58(51)68(6,7)60(53)42-49)26-25-44-27-35-50-52-37-31-47(41-59(52)67(4,5)57(50)39-44)46-29-32-48(33-30-46)70-61-21-13-10-18-54(61)66(2,3)55-19-11-14-22-62(55)70/h10-42H,1-9H3/b26-25+
InChIKeyCHYPTCWOZXSAIV-OCEACIFDSA-N
XLogP18.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.25
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine with MolForge

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Related Compounds

10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
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
5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine
CID 90848407
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
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
11-[7-[(E)-2-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-ethylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071496
1-[4-[7-[2-[7-(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenyl]-2,2-dimethyl-3,4-dihydroquinoline
CID 91445519
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
17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-(4-naphthalen-2-ylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 166803687
11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022
10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
CID 90875628

Frequently Asked Questions

What is the IUPAC name of 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine?
The IUPAC name of 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine (CID 89071052) is 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine.
What is the SMILES notation for 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine?
The canonical SMILES for 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine is Cc1cccc2c1C(C)(C)c1ccccc1N2c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5)ccc3-4)ccc1-2.
What is the InChIKey of 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine?
The InChIKey is CHYPTCWOZXSAIV-OCEACIFDSA-N. The full InChI is InChI=1S/C69H60N2/c1-43-17-16-24-64-65(43)69(8,9)56-20-12-15-23-63(56)71(64)49-34-38-53-51-36-28-45(40-58(51)68(6,7)60(53)42-49)26-25-44-27-35-50-52-37-31-47(41-59(52)67(4,5)57(50)39-44)46-29-32-48(33-30-46)70-61-21-13-10-18-54(61)66(2,3)55-19-11-14-22-62(55)70/h10-42H,1-9H3/b26-25+.
What are the key properties of 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine?
10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine has a molecular weight of 917.25 g/mol, XLogP of 18.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine is sourced from PubChem (CID 89071052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).