2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile

C55H27N7 — CID 122430999

IUPAC2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc(-c3ccccc3N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c(-c3c(C#N)cc(C#N)cc3C#N)c2)c(C#N)c1
InChIInChI=1S/C55H27N7/c56-28-34-23-37(30-58)53(38(24-34)31-59)36-21-22-41(45(27-36)54-39(32-60)25-35(29-57)26-40(54)33-61)44-13-3-8-18-50(44)62-51-19-9-6-16-48(51)55(49-17-7-10-20-52(49)62)46-14-4-1-11-42(46)43-12-2-5-15-47(43)55/h1-27H
InChIKeyUUFUPYTTZUOBRW-UHFFFAOYSA-N
MW785.87 g/mol
LogP12.06
Rot. Bonds4

About 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile

2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile (PubChem CID 122430999) has the molecular formula C55H27N7 and a molecular weight of 785.87 g/mol. Its IUPAC name is 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
PubChem CID122430999
Molecular FormulaC55H27N7
Molecular Weight785.87 g/mol
Exact Mass785.23
IUPAC Name2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc(-c3ccccc3N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c(-c3c(C#N)cc(C#N)cc3C#N)c2)c(C#N)c1
InChIInChI=1S/C55H27N7/c56-28-34-23-37(30-58)53(38(24-34)31-59)36-21-22-41(45(27-36)54-39(32-60)25-35(29-57)26-40(54)33-61)44-13-3-8-18-50(44)62-51-19-9-6-16-48(51)55(49-17-7-10-20-52(49)62)46-14-4-1-11-42(46)43-12-2-5-15-47(43)55/h1-27H
InChIKeyUUFUPYTTZUOBRW-UHFFFAOYSA-N
XLogP12.06
TPSA145.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.87
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile
CID 146653884
2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile
CID 139523775
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 152865534
2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122435734
4-[4-(4-cyanophenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazin-2-yl]benzonitrile
CID 130269041
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
4-(2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidin-5-yl)benzonitrile
CID 130268496
4-[4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazin-2-yl]benzonitrile
CID 130261181
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile (CID 122430999) is 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2ccc(-c3ccccc3N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c(-c3c(C#N)cc(C#N)cc3C#N)c2)c(C#N)c1.
What is the InChIKey of 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
The InChIKey is UUFUPYTTZUOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H27N7/c56-28-34-23-37(30-58)53(38(24-34)31-59)36-21-22-41(45(27-36)54-39(32-60)25-35(29-57)26-40(54)33-61)44-13-3-8-18-50(44)62-51-19-9-6-16-48(51)55(49-17-7-10-20-52(49)62)46-14-4-1-11-42(46)43-12-2-5-15-47(43)55/h1-27H.
What are the key properties of 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile has a molecular weight of 785.87 g/mol, XLogP of 12.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 122430999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).