4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile

C39H24N2O2 — CID 16744152

IUPAC4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C39H24N2O2/c40-25-27-9-17-31(18-10-27)42-33-21-13-29(14-22-33)39(37-7-3-1-5-35(37)36-6-2-4-8-38(36)39)30-15-23-34(24-16-30)43-32-19-11-28(26-41)12-20-32/h1-24H
InChIKeyZHKSYTFIIHMEFX-UHFFFAOYSA-N
MW552.63 g/mol
LogP9.38
Rot. Bonds6

About 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile

4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile (PubChem CID 16744152) has the molecular formula C39H24N2O2 and a molecular weight of 552.63 g/mol. Its IUPAC name is 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile.

Molecular Properties

Compound Name4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile
PubChem CID16744152
Molecular FormulaC39H24N2O2
Molecular Weight552.63 g/mol
Exact Mass552.18
IUPAC Name4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C39H24N2O2/c40-25-27-9-17-31(18-10-27)42-33-21-13-29(14-22-33)39(37-7-3-1-5-35(37)36-6-2-4-8-38(36)39)30-15-23-34(24-16-30)43-32-19-11-28(26-41)12-20-32/h1-24H
InChIKeyZHKSYTFIIHMEFX-UHFFFAOYSA-N
XLogP9.38
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile with MolForge

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Related Compounds

cyanic acid;4-[9-(4-cyanophenyl)fluoren-9-yl]benzonitrile
CID 175860116
[4-[9-(4-cyanatophenyl)fluoren-9-yl]phenyl] cyanate
CID 2832082
4-[3-[9-[3,5-bis(4-cyanophenyl)phenyl]fluoren-9-yl]-5-(4-cyanophenyl)phenyl]benzonitrile
CID 67472777
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
9-(2-phenylethynyl)-9-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenoxy]phenyl]fluorene
CID 153299284
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine
CID 139970952
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
9,9-bis[4-(3-chloro-4-isocyanophenoxy)phenyl]fluorene
CID 58769613
4-[[17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-11-(4-isocyanophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]oxy]benzonitrile
CID 155760875

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile?
The IUPAC name of 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile (CID 16744152) is 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile.
What is the SMILES notation for 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile?
The canonical SMILES for 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile is N#Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile?
The InChIKey is ZHKSYTFIIHMEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O2/c40-25-27-9-17-31(18-10-27)42-33-21-13-29(14-22-33)39(37-7-3-1-5-35(37)36-6-2-4-8-38(36)39)30-15-23-34(24-16-30)43-32-19-11-28(26-41)12-20-32/h1-24H.
What are the key properties of 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile?
4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile has a molecular weight of 552.63 g/mol, XLogP of 9.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile is sourced from PubChem (CID 16744152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).