5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile

C29H14N4O2 — CID 18792326

IUPAC5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C2(c3cc(C#N)c(O)c(C#N)c3)c3ccccc3-c3ccccc32)cc(C#N)c1O
InChIInChI=1S/C29H14N4O2/c30-13-17-9-21(10-18(14-31)27(17)34)29(22-11-19(15-32)28(35)20(12-22)16-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29/h1-12,34-35H
InChIKeyZYWVLCAKLRYCHE-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.95
Rot. Bonds2

About 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile

5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile (PubChem CID 18792326) has the molecular formula C29H14N4O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile
PubChem CID18792326
Molecular FormulaC29H14N4O2
Molecular Weight450.46 g/mol
Exact Mass450.11
IUPAC Name5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C2(c3cc(C#N)c(O)c(C#N)c3)c3ccccc3-c3ccccc32)cc(C#N)c1O
InChIInChI=1S/C29H14N4O2/c30-13-17-9-21(10-18(14-31)27(17)34)29(22-11-19(15-32)28(35)20(12-22)16-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29/h1-12,34-35H
InChIKeyZYWVLCAKLRYCHE-UHFFFAOYSA-N
XLogP4.95
TPSA135.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile 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

cyanic acid;4-[9-(4-cyanophenyl)fluoren-9-yl]benzonitrile
CID 175860116
4-[3-[9-[3,5-bis(4-cyanophenyl)phenyl]fluoren-9-yl]-5-(4-cyanophenyl)phenyl]benzonitrile
CID 67472777
3-[3-[9-[3,5-bis(3-cyano-5-methylphenyl)phenyl]fluoren-9-yl]-5-(3-cyano-5-methylphenyl)phenyl]-5-methylbenzonitrile
CID 70792678
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile
CID 16744152
1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol
CID 138492957
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
[4-[9-(4-cyanatophenyl)fluoren-9-yl]phenyl] cyanate
CID 2832082
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137

Frequently Asked Questions

What is the IUPAC name of 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile (CID 18792326) is 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile is N#Cc1cc(C2(c3cc(C#N)c(O)c(C#N)c3)c3ccccc3-c3ccccc32)cc(C#N)c1O.
What is the InChIKey of 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile?
The InChIKey is ZYWVLCAKLRYCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H14N4O2/c30-13-17-9-21(10-18(14-31)27(17)34)29(22-11-19(15-32)28(35)20(12-22)16-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29/h1-12,34-35H.
What are the key properties of 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile?
5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile has a molecular weight of 450.46 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 18792326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).