2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile

C32H22FN3 — CID 163680138

IUPAC2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile
SMILESCC1C=c2c(c3ccccc3n2-c2ccc3c4ccc(F)cc4n(-c4ccccc4C#N)c3c2)=CC1
InChIInChI=1S/C32H22FN3/c1-20-10-13-25-24-7-3-5-9-29(24)35(30(25)16-20)23-12-15-27-26-14-11-22(33)17-31(26)36(32(27)18-23)28-8-4-2-6-21(28)19-34/h2-9,11-18,20H,10H2,1H3
InChIKeyJKDIGVYHBKROJC-UHFFFAOYSA-N
MW467.55 g/mol
LogP6.34
Rot. Bonds2

About 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile

2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile (PubChem CID 163680138) has the molecular formula C32H22FN3 and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile
PubChem CID163680138
Molecular FormulaC32H22FN3
Molecular Weight467.55 g/mol
Exact Mass467.18
IUPAC Name2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile
SMILESCC1C=c2c(c3ccccc3n2-c2ccc3c4ccc(F)cc4n(-c4ccccc4C#N)c3c2)=CC1
InChIInChI=1S/C32H22FN3/c1-20-10-13-25-24-7-3-5-9-29(24)35(30(25)16-20)23-12-15-27-26-14-11-22(33)17-31(26)36(32(27)18-23)28-8-4-2-6-21(28)19-34/h2-9,11-18,20H,10H2,1H3
InChIKeyJKDIGVYHBKROJC-UHFFFAOYSA-N
XLogP6.34
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958111
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
4,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 152939777
9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile
CID 146518124
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901
2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
CID 142555854
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole
CID 166957809
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile (CID 163680138) is 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile is CC1C=c2c(c3ccccc3n2-c2ccc3c4ccc(F)cc4n(-c4ccccc4C#N)c3c2)=CC1.
What is the InChIKey of 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile?
The InChIKey is JKDIGVYHBKROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FN3/c1-20-10-13-25-24-7-3-5-9-29(24)35(30(25)16-20)23-12-15-27-26-14-11-22(33)17-31(26)36(32(27)18-23)28-8-4-2-6-21(28)19-34/h2-9,11-18,20H,10H2,1H3.
What are the key properties of 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile?
2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile has a molecular weight of 467.55 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 163680138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).