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

C70H52N2 — CID 89071765

IUPAC10-[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
SMILESC1=CC2=C(CC1)Cc1ccccc1N2c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc1-2
InChIInChI=1S/C70H52N2/c1-2-18-52-42-69(41-51(52)17-1)61-35-45(27-31-57(61)59-33-29-55(39-63(59)69)71-65-21-9-5-13-47(65)37-48-14-6-10-22-66(48)71)25-26-46-28-32-58-60-34-30-56(72-67-23-11-7-15-49(67)38-50-16-8-12-24-68(50)72)40-64(60)70(62(58)36-46)43-53-19-3-4-20-54(53)44-70/h1-7,9-15,17-36,39-40H,8,16,37-38,41-44H2/b26-25+
InChIKeyWFQMKVUWRMXMOS-OCEACIFDSA-N
MW921.20 g/mol
LogP16.66
Rot. Bonds4

About 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

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 (PubChem CID 89071765) has the molecular formula C70H52N2 and a molecular weight of 921.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID89071765
Molecular FormulaC70H52N2
Molecular Weight921.20 g/mol
Exact Mass920.41
IUPAC Name10-[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
SMILESC1=CC2=C(CC1)Cc1ccccc1N2c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc1-2
InChIInChI=1S/C70H52N2/c1-2-18-52-42-69(41-51(52)17-1)61-35-45(27-31-57(61)59-33-29-55(39-63(59)69)71-65-21-9-5-13-47(65)37-48-14-6-10-22-66(48)71)25-26-46-28-32-58-60-34-30-56(72-67-23-11-7-15-49(67)38-50-16-8-12-24-68(50)72)40-64(60)70(62(58)36-46)43-53-19-3-4-20-54(53)44-70/h1-7,9-15,17-36,39-40H,8,16,37-38,41-44H2/b26-25+
InChIKeyWFQMKVUWRMXMOS-OCEACIFDSA-N
XLogP16.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms72
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.20
LogP ≤ 516.66
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'-(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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=C(CC1)Cc1ccccc1N2c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc1-2.
What is the InChIKey of 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?
The InChIKey is WFQMKVUWRMXMOS-OCEACIFDSA-N. The full InChI is InChI=1S/C70H52N2/c1-2-18-52-42-69(41-51(52)17-1)61-35-45(27-31-57(61)59-33-29-55(39-63(59)69)71-65-21-9-5-13-47(65)37-48-14-6-10-22-66(48)71)25-26-46-28-32-58-60-34-30-56(72-67-23-11-7-15-49(67)38-50-16-8-12-24-68(50)72)40-64(60)70(62(58)36-46)43-53-19-3-4-20-54(53)44-70/h1-7,9-15,17-36,39-40H,8,16,37-38,41-44H2/b26-25+.
What are the key properties of 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?
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 has a molecular weight of 921.20 g/mol, XLogP of 16.66, 4 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'-(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 is sourced from PubChem (CID 89071765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).