4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile

C48H30N2 — CID 143268686

IUPAC4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile
SMILESC=Cc1ccc2c(c1)C1(c3cc(-c4c5ccccc5cc5ccccc45)ccc3-2)c2ccccc2N(c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C48H30N2/c1-2-31-21-25-39-40-26-22-35(47-37-13-5-3-11-33(37)28-34-12-4-6-14-38(34)47)29-44(40)48(43(39)27-31)41-15-7-9-17-45(41)50(46-18-10-8-16-42(46)48)36-23-19-32(30-49)20-24-36/h2-29H,1H2
InChIKeyBUMZHEQKSXNAHK-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.32
Rot. Bonds3

About 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile

4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile (PubChem CID 143268686) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile.

Molecular Properties

Compound Name4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile
PubChem CID143268686
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile
SMILESC=Cc1ccc2c(c1)C1(c3cc(-c4c5ccccc5cc5ccccc45)ccc3-2)c2ccccc2N(c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C48H30N2/c1-2-31-21-25-39-40-26-22-35(47-37-13-5-3-11-33(37)28-34-12-4-6-14-38(34)47)29-44(40)48(43(39)27-31)41-15-7-9-17-45(41)50(46-18-10-8-16-42(46)48)36-23-19-32(30-49)20-24-36/h2-29H,1H2
InChIKeyBUMZHEQKSXNAHK-UHFFFAOYSA-N
XLogP12.32
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7'-(10-phenanthren-9-ylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 90194777
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]
CID 143268755
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
10-phenyl-2'-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,11'-benzo[b]fluorene]
CID 134304722
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
10-phenyl-2'-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 148758865
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]
CID 143268877
4-[2',7,7'-tris(4-cyanophenyl)-9,9'-spirobi[fluorene]-2-yl]benzonitrile
CID 59565907
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181

Frequently Asked Questions

What is the IUPAC name of 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile?
The IUPAC name of 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile (CID 143268686) is 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile.
What is the SMILES notation for 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile?
The canonical SMILES for 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile is C=Cc1ccc2c(c1)C1(c3cc(-c4c5ccccc5cc5ccccc45)ccc3-2)c2ccccc2N(c2ccc(C#N)cc2)c2ccccc21.
What is the InChIKey of 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile?
The InChIKey is BUMZHEQKSXNAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-31-21-25-39-40-26-22-35(47-37-13-5-3-11-33(37)28-34-12-4-6-14-38(34)47)29-44(40)48(43(39)27-31)41-15-7-9-17-45(41)50(46-18-10-8-16-42(46)48)36-23-19-32(30-49)20-24-36/h2-29H,1H2.
What are the key properties of 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile?
4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile has a molecular weight of 634.78 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2'-anthracen-9-yl-7'-ethenylspiro[acridine-9,9'-fluorene]-10-yl)benzonitrile is sourced from PubChem (CID 143268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).