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

C68H50N2 — CID 89070861

IUPAC10-[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
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(C5=C(CCC=C5)c5ccccc53)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C68H50N2/c1-67(2)59-37-43(29-33-53(59)54-35-31-49(41-60(54)67)69-63-23-11-3-15-45(63)39-46-16-4-12-24-64(46)69)27-28-44-30-34-55-56-36-32-50(70-65-25-13-5-17-47(65)40-48-18-6-14-26-66(48)70)42-62(56)68(61(55)38-44)57-21-9-7-19-51(57)52-20-8-10-22-58(52)68/h3-7,9-19,21-38,41-42H,8,20,39-40H2,1-2H3/b28-27+
InChIKeyRIVSTENZEQPGRN-BYYHNAKLSA-N
MW895.16 g/mol
LogP17.34
Rot. Bonds4

About 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

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 (PubChem CID 89070861) has the molecular formula C68H50N2 and a molecular weight of 895.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID89070861
Molecular FormulaC68H50N2
Molecular Weight895.16 g/mol
Exact Mass894.40
IUPAC Name10-[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
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(C5=C(CCC=C5)c5ccccc53)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C68H50N2/c1-67(2)59-37-43(29-33-53(59)54-35-31-49(41-60(54)67)69-63-23-11-3-15-45(63)39-46-16-4-12-24-64(46)69)27-28-44-30-34-55-56-36-32-50(70-65-25-13-5-17-47(65)40-48-18-6-14-26-66(48)70)42-62(56)68(61(55)38-44)57-21-9-7-19-51(57)52-20-8-10-22-58(52)68/h3-7,9-19,21-38,41-42H,8,20,39-40H2,1-2H3/b28-27+
InChIKeyRIVSTENZEQPGRN-BYYHNAKLSA-N
XLogP17.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.16
LogP ≤ 517.34
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-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine with MolForge

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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
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
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-(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
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
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
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
10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
CID 90875628
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
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(C5=C(CCC=C5)c5ccccc53)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21.
What is the InChIKey of 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?
The InChIKey is RIVSTENZEQPGRN-BYYHNAKLSA-N. The full InChI is InChI=1S/C68H50N2/c1-67(2)59-37-43(29-33-53(59)54-35-31-49(41-60(54)67)69-63-23-11-3-15-45(63)39-46-16-4-12-24-64(46)69)27-28-44-30-34-55-56-36-32-50(70-65-25-13-5-17-47(65)40-48-18-6-14-26-66(48)70)42-62(56)68(61(55)38-44)57-21-9-7-19-51(57)52-20-8-10-22-58(52)68/h3-7,9-19,21-38,41-42H,8,20,39-40H2,1-2H3/b28-27+.
What are the key properties of 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?
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 has a molecular weight of 895.16 g/mol, XLogP of 17.34, 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-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine is sourced from PubChem (CID 89070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).