2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile

C38H22N4 — CID 146653884

IUPAC2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(-c2ccccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c(C#N)c1
InChIInChI=1S/C38H22N4/c39-22-25-21-26(23-40)37(41-24-25)29-13-3-8-18-34(29)42-35-19-9-6-16-32(35)38(33-17-7-10-20-36(33)42)30-14-4-1-11-27(30)28-12-2-5-15-31(28)38/h1-21,24H
InChIKeyQXAMVZGQLOORPX-UHFFFAOYSA-N
MW534.62 g/mol
LogP8.64
Rot. Bonds2

About 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile

2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 146653884) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile
PubChem CID146653884
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(-c2ccccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c(C#N)c1
InChIInChI=1S/C38H22N4/c39-22-25-21-26(23-40)37(41-24-25)29-13-3-8-18-34(29)42-35-19-9-6-16-32(35)38(33-17-7-10-20-36(33)42)30-14-4-1-11-27(30)28-12-2-5-15-31(28)38/h1-21,24H
InChIKeyQXAMVZGQLOORPX-UHFFFAOYSA-N
XLogP8.64
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile
CID 139523775
2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122430999
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653886
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 152865534
10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 146653899
3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile
CID 158887019
5-isocyano-4-pyrido[4,3-b]indol-5-yl-2-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 140767657
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-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile
CID 157298075
5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile
CID 18792326

Frequently Asked Questions

What is the IUPAC name of 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile (CID 146653884) is 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile is N#Cc1cnc(-c2ccccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c(C#N)c1.
What is the InChIKey of 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is QXAMVZGQLOORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-22-25-21-26(23-40)37(41-24-25)29-13-3-8-18-34(29)42-35-19-9-6-16-32(35)38(33-17-7-10-20-36(33)42)30-14-4-1-11-27(30)28-12-2-5-15-31(28)38/h1-21,24H.
What are the key properties of 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile?
2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 534.62 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 146653884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).