7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile

C27H21N2+ — CID 159136573

IUPAC7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile
SMILESCc1ccc2c(c1-c1cc(-c3ccccc3)cc[n+]1C)Cc1cccc(C#N)c1-2
InChIInChI=1S/C27H21N2/c1-18-11-12-23-24(15-21-9-6-10-22(17-28)27(21)23)26(18)25-16-20(13-14-29(25)2)19-7-4-3-5-8-19/h3-14,16H,15H2,1-2H3/q+1
InChIKeyLDSJOCHSFQCXIT-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.60
Rot. Bonds2

About 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile

7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile (PubChem CID 159136573) has the molecular formula C27H21N2+ and a molecular weight of 373.48 g/mol. Its IUPAC name is 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile.

Molecular Properties

Compound Name7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile
PubChem CID159136573
Molecular FormulaC27H21N2+
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC Name7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile
SMILESCc1ccc2c(c1-c1cc(-c3ccccc3)cc[n+]1C)Cc1cccc(C#N)c1-2
InChIInChI=1S/C27H21N2/c1-18-11-12-23-24(15-21-9-6-10-22(17-28)27(21)23)26(18)25-16-20(13-14-29(25)2)19-7-4-3-5-8-19/h3-14,16H,15H2,1-2H3/q+1
InChIKeyLDSJOCHSFQCXIT-UHFFFAOYSA-N
XLogP5.60
TPSA27.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,5,5-trimethyl-4-(1-methyl-4-phenylpyridin-1-ium-2-yl)benzo[b][1]benzosilole-6-carbonitrile
CID 170530578
3,26-dimethyl-26-azoniahexacyclo[21.3.1.118,22.02,7.06,10.09,14]octacosa-1(26),2,4,6,9(14),10,12,18(28),19,21,23(27),24-dodecaene
CID 147014653
7,9,9-trimethyl-8-(1-methylpyridin-1-ium-2-yl)-1-phenylfluorene-2-carbonitrile
CID 167365822
6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-4-[4-(3-methylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 164849912
2-(3,6-dimethyldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium
CID 147431002
6-(4-fluoro-1-methylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-1-carbonitrile
CID 164778729
2-(4-ethyl-2-methylphenyl)-1-methyl-4-phenylpyridin-1-ium
CID 123231632
5-(2,5-dimethyl-9H-fluoren-1-yl)-4-methyl-4-azoniatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 160507770
ethane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 161214626
7-methyl-4-[3-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 164849317
1-methyl-2-(3-methyldibenzofuran-4-yl)-4-phenylpyridin-1-ium
CID 123854314
7-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 164849427

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile?
The IUPAC name of 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile (CID 159136573) is 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile.
What is the SMILES notation for 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile?
The canonical SMILES for 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile is Cc1ccc2c(c1-c1cc(-c3ccccc3)cc[n+]1C)Cc1cccc(C#N)c1-2.
What is the InChIKey of 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile?
The InChIKey is LDSJOCHSFQCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N2/c1-18-11-12-23-24(15-21-9-6-10-22(17-28)27(21)23)26(18)25-16-20(13-14-29(25)2)19-7-4-3-5-8-19/h3-14,16H,15H2,1-2H3/q+1.
What are the key properties of 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile?
7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile has a molecular weight of 373.48 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-9H-fluorene-4-carbonitrile is sourced from PubChem (CID 159136573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).