2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile

C62H38N4 — CID 139523775

IUPAC2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile
SMILESN#Cc1cc(-c2cnccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)ccc1N1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C62H38N4/c63-38-41-37-40(33-34-55(41)65-57-29-13-9-25-51(57)61(52-26-10-14-30-58(52)65)47-21-5-1-17-42(47)43-18-2-6-22-48(43)61)46-39-64-36-35-56(46)66-59-31-15-11-27-53(59)62(54-28-12-16-32-60(54)66)49-23-7-3-19-44(49)45-20-4-8-24-50(45)62/h1-37,39H
InChIKeyBHWFMFKFOXTDCU-UHFFFAOYSA-N
MW839.01 g/mol
LogP14.91
Rot. Bonds3

About 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile

2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile (PubChem CID 139523775) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile
PubChem CID139523775
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile
SMILESN#Cc1cc(-c2cnccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)ccc1N1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C62H38N4/c63-38-41-37-40(33-34-55(41)65-57-29-13-9-25-51(57)61(52-26-10-14-30-58(52)65)47-21-5-1-17-42(47)43-18-2-6-22-48(43)61)46-39-64-36-35-56(46)66-59-31-15-11-27-53(59)62(54-28-12-16-32-60(54)66)49-23-7-3-19-44(49)45-20-4-8-24-50(45)62/h1-37,39H
InChIKeyBHWFMFKFOXTDCU-UHFFFAOYSA-N
XLogP14.91
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile
CID 146653884
2-(3-pyrido[4,3-b]indol-5-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzene-1,3-dicarbonitrile
CID 126496644
2-(3',6'-dimethylspiro[acridine-9,9'-fluorene]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 147345322
3-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543305
5-isocyano-4-pyrido[4,3-b]indol-5-yl-2-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 140767657
2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122430999
2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile
CID 149278610
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 146653899
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 152865534
10-phenylspiro[acridine-9,5'-pyrido[4,3-g]isoquinoline]-10'-one
CID 159430495
10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]
CID 155333863

Frequently Asked Questions

What is the IUPAC name of 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile?
The IUPAC name of 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile (CID 139523775) is 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile?
The canonical SMILES for 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile is N#Cc1cc(-c2cnccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)ccc1N1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile?
The InChIKey is BHWFMFKFOXTDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c63-38-41-37-40(33-34-55(41)65-57-29-13-9-25-51(57)61(52-26-10-14-30-58(52)65)47-21-5-1-17-42(47)43-18-2-6-22-48(43)61)46-39-64-36-35-56(46)66-59-31-15-11-27-53(59)62(54-28-12-16-32-60(54)66)49-23-7-3-19-44(49)45-20-4-8-24-50(45)62/h1-37,39H.
What are the key properties of 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile?
2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile has a molecular weight of 839.01 g/mol, XLogP of 14.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[acridine-9,9'-fluorene]-10-yl-5-(4-spiro[acridine-9,9'-fluorene]-10-yl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 139523775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).