4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile

C56H35NO — CID 146362644

IUPAC4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c3Oc3c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C56H35NO/c57-36-37-25-27-40(28-26-37)41-29-31-42(32-30-41)46-19-11-23-52-54(46)58-55-47(45-34-43(38-13-3-1-4-14-38)33-44(35-45)39-15-5-2-6-16-39)20-12-24-53(55)56(52)50-21-9-7-17-48(50)49-18-8-10-22-51(49)56/h1-35H
InChIKeyZHYWLHOPLGFNPC-UHFFFAOYSA-N
MW737.90 g/mol
LogP14.36
Rot. Bonds5

About 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile

4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile (PubChem CID 146362644) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile
PubChem CID146362644
Molecular FormulaC56H35NO
Molecular Weight737.90 g/mol
Exact Mass737.27
IUPAC Name4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c3Oc3c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C56H35NO/c57-36-37-25-27-40(28-26-37)41-29-31-42(32-30-41)46-19-11-23-52-54(46)58-55-47(45-34-43(38-13-3-1-4-14-38)33-44(35-45)39-15-5-2-6-16-39)20-12-24-53(55)56(52)50-21-9-7-17-48(50)49-18-8-10-22-51(49)56/h1-35H
InChIKeyZHYWLHOPLGFNPC-UHFFFAOYSA-N
XLogP14.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile 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

4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 146362550
5-[4-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzene-1,3-dicarbonitrile
CID 146362301
4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile
CID 146362742
4-[3-[9-[3,5-bis(4-cyanophenyl)phenyl]fluoren-9-yl]-5-(4-cyanophenyl)phenyl]benzonitrile
CID 67472777
4-[4-phenyl-6-[3-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 160984017
4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)benzonitrile
CID 155767812
4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 171405748
4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)benzonitrile
CID 146495138
4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]benzonitrile
CID 138573885
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 160882389
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile (CID 146362644) is 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3cccc4c3Oc3c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile?
The InChIKey is ZHYWLHOPLGFNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c57-36-37-25-27-40(28-26-37)41-29-31-42(32-30-41)46-19-11-23-52-54(46)58-55-47(45-34-43(38-13-3-1-4-14-38)33-44(35-45)39-15-5-2-6-16-39)20-12-24-53(55)56(52)50-21-9-7-17-48(50)49-18-8-10-22-51(49)56/h1-35H.
What are the key properties of 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile?
4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile has a molecular weight of 737.90 g/mol, XLogP of 14.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile is sourced from PubChem (CID 146362644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).