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

C51H42N2 — CID 91237807

IUPAC10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2cc(C=Cc3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C51H42N2/c1-50(2)42-15-7-11-19-48(42)52(49-20-12-8-16-43(49)50)38-26-23-34(24-27-38)21-22-35-25-29-40-41-30-28-39(33-45(41)51(3,4)44(40)31-35)53-46-17-9-5-13-36(46)32-37-14-6-10-18-47(37)53/h5-31,33H,32H2,1-4H3
InChIKeyKLYWJOQLDMXQMM-UHFFFAOYSA-N
MW682.91 g/mol
LogP13.65
Rot. Bonds4

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

10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine (PubChem CID 91237807) has the molecular formula C51H42N2 and a molecular weight of 682.91 g/mol. Its IUPAC name is 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
PubChem CID91237807
Molecular FormulaC51H42N2
Molecular Weight682.91 g/mol
Exact Mass682.33
IUPAC Name10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2cc(C=Cc3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21
InChIInChI=1S/C51H42N2/c1-50(2)42-15-7-11-19-48(42)52(49-20-12-8-16-43(49)50)38-26-23-34(24-27-38)21-22-35-25-29-40-41-30-28-39(33-45(41)51(3,4)44(40)31-35)53-46-17-9-5-13-36(46)32-37-14-6-10-18-47(37)53/h5-31,33H,32H2,1-4H3
InChIKeyKLYWJOQLDMXQMM-UHFFFAOYSA-N
XLogP13.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.91
LogP ≤ 513.65
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-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
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
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
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-[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-[8-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl]-9,9-dimethylacridine
CID 90948787
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'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
CID 89071707
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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine (CID 91237807) is 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine is CC1(C)c2cc(C=Cc3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)ccc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc21.
What is the InChIKey of 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine?
The InChIKey is KLYWJOQLDMXQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2/c1-50(2)42-15-7-11-19-48(42)52(49-20-12-8-16-43(49)50)38-26-23-34(24-27-38)21-22-35-25-29-40-41-30-28-39(33-45(41)51(3,4)44(40)31-35)53-46-17-9-5-13-36(46)32-37-14-6-10-18-47(37)53/h5-31,33H,32H2,1-4H3.
What are the key properties of 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine?
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine has a molecular weight of 682.91 g/mol, XLogP of 13.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 91237807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).