4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile

C37H24N2 — CID 153124199

IUPAC4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile
SMILESN#CC1=CC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)=CCN1
InChIInChI=1S/C37H24N2/c38-23-28-21-27(19-20-39-28)25-15-13-24(14-16-25)26-17-18-32-31-9-3-6-12-35(31)37(36(32)22-26)33-10-4-1-7-29(33)30-8-2-5-11-34(30)37/h1-19,21-22,39H,20H2
InChIKeyVVLSZKYGTMFALA-UHFFFAOYSA-N
MW496.61 g/mol
LogP8.09
Rot. Bonds2

About 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile

4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile (PubChem CID 153124199) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile
PubChem CID153124199
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile
SMILESN#CC1=CC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)=CCN1
InChIInChI=1S/C37H24N2/c38-23-28-21-27(19-20-39-28)25-15-13-24(14-16-25)26-17-18-32-31-9-3-6-12-35(31)37(36(32)22-26)33-10-4-1-7-29(33)30-8-2-5-11-34(30)37/h1-19,21-22,39H,20H2
InChIKeyVVLSZKYGTMFALA-UHFFFAOYSA-N
XLogP8.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
4-[2',7,7'-tris(4-cyanophenyl)-9,9'-spirobi[fluorene]-2-yl]benzonitrile
CID 59565907
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
4-(10',10'-dioxospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-thioxanthene]-11-yl)benzonitrile
CID 134572176
4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397477
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-carbonitrile
CID 162776189
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile?
The IUPAC name of 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile (CID 153124199) is 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile?
The canonical SMILES for 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile is N#CC1=CC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)=CCN1.
What is the InChIKey of 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile?
The InChIKey is VVLSZKYGTMFALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c38-23-28-21-27(19-20-39-28)25-15-13-24(14-16-25)26-17-18-32-31-9-3-6-12-35(31)37(36(32)22-26)33-10-4-1-7-29(33)30-8-2-5-11-34(30)37/h1-19,21-22,39H,20H2.
What are the key properties of 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile?
4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile has a molecular weight of 496.61 g/mol, XLogP of 8.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 153124199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).