7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane

C65H66N2 — CID 143984399

IUPAC7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane
SMILESC1=C\CCCC\C=C/1.CC.CCc1ccccc1Nc1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C3(CCCC3)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc1-2
InChIInChI=1S/C55H48N2.C8H12.C2H6/c1-4-38-13-5-8-16-51(38)56-41-23-27-44-43-25-21-36(31-47(43)54(2,3)48(44)34-41)19-20-37-22-26-45-46-28-24-42(35-50(46)55(49(45)32-37)29-11-12-30-55)57-52-17-9-6-14-39(52)33-40-15-7-10-18-53(40)57;1-2-4-6-8-7-5-3-1;1-2/h5-10,13-28,31-32,34-35,56H,4,11-12,29-30,33H2,1-3H3;1-4H,5-8H2;1-2H3/b20-19+;3-1-,4-2-;
InChIKeyZHLFANLQQWPBTL-CFVREGSISA-N
MW875.26 g/mol
LogP18.38
Rot. Bonds6

About 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane

7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane (PubChem CID 143984399) has the molecular formula C65H66N2 and a molecular weight of 875.26 g/mol. Its IUPAC name is 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane.

Molecular Properties

Compound Name7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane
PubChem CID143984399
Molecular FormulaC65H66N2
Molecular Weight875.26 g/mol
Exact Mass874.52
IUPAC Name7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane
SMILESC1=C\CCCC\C=C/1.CC.CCc1ccccc1Nc1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C3(CCCC3)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc1-2
InChIInChI=1S/C55H48N2.C8H12.C2H6/c1-4-38-13-5-8-16-51(38)56-41-23-27-44-43-25-21-36(31-47(43)54(2,3)48(44)34-41)19-20-37-22-26-45-46-28-24-42(35-50(46)55(49(45)32-37)29-11-12-30-55)57-52-17-9-6-14-39(52)33-40-15-7-10-18-53(40)57;1-2-4-6-8-7-5-3-1;1-2/h5-10,13-28,31-32,34-35,56H,4,11-12,29-30,33H2,1-3H3;1-4H,5-8H2;1-2H3/b20-19+;3-1-,4-2-;
InChIKeyZHLFANLQQWPBTL-CFVREGSISA-N
XLogP18.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.26
LogP ≤ 518.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane with MolForge

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Related Compounds

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-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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-[(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-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 91214986
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
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-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
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-[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

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane?
The IUPAC name of 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane (CID 143984399) is 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane.
What is the SMILES notation for 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane?
The canonical SMILES for 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane is C1=C\CCCC\C=C/1.CC.CCc1ccccc1Nc1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C3(CCCC3)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc1-2.
What is the InChIKey of 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane?
The InChIKey is ZHLFANLQQWPBTL-CFVREGSISA-N. The full InChI is InChI=1S/C55H48N2.C8H12.C2H6/c1-4-38-13-5-8-16-51(38)56-41-23-27-44-43-25-21-36(31-47(43)54(2,3)48(44)34-41)19-20-37-22-26-45-46-28-24-42(35-50(46)55(49(45)32-37)29-11-12-30-55)57-52-17-9-6-14-39(52)33-40-15-7-10-18-53(40)57;1-2-4-6-8-7-5-3-1;1-2/h5-10,13-28,31-32,34-35,56H,4,11-12,29-30,33H2,1-3H3;1-4H,5-8H2;1-2H3/b20-19+;3-1-,4-2-;.
What are the key properties of 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane?
7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane has a molecular weight of 875.26 g/mol, XLogP of 18.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane is sourced from PubChem (CID 143984399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).