6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile

C28H18FN3 — CID 154432794

IUPAC6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=CC1(F)n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21
InChIInChI=1S/C28H18FN3/c29-28(15-6-5-9-21(28)17-30)32-25-13-4-2-10-23(25)27-22(11-7-14-26(27)32)20-16-19-8-1-3-12-24(19)31-18-20/h1-16,18,21H
InChIKeyDBXHXSXTKUKIAV-UHFFFAOYSA-N
MW415.47 g/mol
LogP6.90
Rot. Bonds2

About 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile

6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 154432794) has the molecular formula C28H18FN3 and a molecular weight of 415.47 g/mol. Its IUPAC name is 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile
PubChem CID154432794
Molecular FormulaC28H18FN3
Molecular Weight415.47 g/mol
Exact Mass415.15
IUPAC Name6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=CC1(F)n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21
InChIInChI=1S/C28H18FN3/c29-28(15-6-5-9-21(28)17-30)32-25-13-4-2-10-23(25)27-22(11-7-14-26(27)32)20-16-19-8-1-3-12-24(19)31-18-20/h1-16,18,21H
InChIKeyDBXHXSXTKUKIAV-UHFFFAOYSA-N
XLogP6.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308148
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308741
1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol
CID 174659233
4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
CID 58338310
2-quinolin-3-ylaniline
CID 4134401
3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide
CID 58338206
3-(2,3-dichlorophenyl)quinoline
CID 175328556
4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile
CID 66680661
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 58338230
3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)quinoline
CID 167411808

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile (CID 154432794) is 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile is N#CC1C=CC=CC1(F)n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21.
What is the InChIKey of 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is DBXHXSXTKUKIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3/c29-28(15-6-5-9-21(28)17-30)32-25-13-4-2-10-23(25)27-22(11-7-14-26(27)32)20-16-19-8-1-3-12-24(19)31-18-20/h1-16,18,21H.
What are the key properties of 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile?
6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 415.47 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 154432794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).