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

C55H42N2 — CID 89070887

IUPAC10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc(N5c6ccccc6Cc6ccccc65)cc4)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C55H42N2/c1-55(2)49-33-38(23-31-47(49)48-32-30-46(36-50(48)55)57-53-17-9-5-13-43(53)35-44-14-6-10-18-54(44)57)20-19-37-21-24-39(25-22-37)40-26-28-45(29-27-40)56-51-15-7-3-11-41(51)34-42-12-4-8-16-52(42)56/h3-33,36H,34-35H2,1-2H3/b20-19+
InChIKeyLAAPOBWEDQQGGV-FMQUCBEESA-N
MW730.96 g/mol
LogP14.58
Rot. Bonds5

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

10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine (PubChem CID 89070887) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine.

Molecular Properties

Compound Name10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
PubChem CID89070887
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC Name10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc(N5c6ccccc6Cc6ccccc65)cc4)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C55H42N2/c1-55(2)49-33-38(23-31-47(49)48-32-30-46(36-50(48)55)57-53-17-9-5-13-43(53)35-44-14-6-10-18-54(44)57)20-19-37-21-24-39(25-22-37)40-26-28-45(29-27-40)56-51-15-7-3-11-41(51)34-42-12-4-8-16-52(42)56/h3-33,36H,34-35H2,1-2H3/b20-19+
InChIKeyLAAPOBWEDQQGGV-FMQUCBEESA-N
XLogP14.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
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
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
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-[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'-[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-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
CID 89071707
11-[7-[(E)-2-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 143984325

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine?
The IUPAC name of 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine (CID 89070887) is 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine.
What is the SMILES notation for 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine?
The canonical SMILES for 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine is CC1(C)c2cc(/C=C/c3ccc(-c4ccc(N5c6ccccc6Cc6ccccc65)cc4)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21.
What is the InChIKey of 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine?
The InChIKey is LAAPOBWEDQQGGV-FMQUCBEESA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)49-33-38(23-31-47(49)48-32-30-46(36-50(48)55)57-53-17-9-5-13-43(53)35-44-14-6-10-18-54(44)57)20-19-37-21-24-39(25-22-37)40-26-28-45(29-27-40)56-51-15-7-3-11-41(51)34-42-12-4-8-16-52(42)56/h3-33,36H,34-35H2,1-2H3/b20-19+.
What are the key properties of 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine?
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine has a molecular weight of 730.96 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine is sourced from PubChem (CID 89070887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).