4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium

C21H15N4+ — CID 146727746

IUPAC4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium
SMILESc1cncc(-[n+]2cnc(-c3ccc4c(c3)Cc3ccccc3-4)nc2)c1
InChIInChI=1S/C21H15N4/c1-2-6-19-15(4-1)10-17-11-16(7-8-20(17)19)21-23-13-25(14-24-21)18-5-3-9-22-12-18/h1-9,11-14H,10H2/q+1
InChIKeyWXMUIZLHJZJNCL-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.39
Rot. Bonds2

About 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium

4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium (PubChem CID 146727746) has the molecular formula C21H15N4+ and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium
PubChem CID146727746
Molecular FormulaC21H15N4+
Molecular Weight323.38 g/mol
Exact Mass323.13
IUPAC Name4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium
SMILESc1cncc(-[n+]2cnc(-c3ccc4c(c3)Cc3ccccc3-4)nc2)c1
InChIInChI=1S/C21H15N4/c1-2-6-19-15(4-1)10-17-11-16(7-8-20(17)19)21-23-13-25(14-24-21)18-5-3-9-22-12-18/h1-9,11-14H,10H2/q+1
InChIKeyWXMUIZLHJZJNCL-UHFFFAOYSA-N
XLogP3.39
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(9H-fluoren-2-yl)-2-[5-(9H-fluoren-2-yl)-2-pyridinyl]pyridine
CID 86049037
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2-[2-(9H-fluoren-2-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 161248550
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
9H-indeno[2,1-c]pyridine
CID 597466
2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene
CID 59779545
4-(9H-fluoren-2-yl)pyrimidin-2-amine
CID 54468261
cadmium;9H-fluorene
CID 175337736
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
benzene;9H-fluorene;naphthalene;pyridine
CID 158705225
1,25-diazaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene
CID 167585226
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium?
The IUPAC name of 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium (CID 146727746) is 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium.
What is the SMILES notation for 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium?
The canonical SMILES for 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium is c1cncc(-[n+]2cnc(-c3ccc4c(c3)Cc3ccccc3-4)nc2)c1.
What is the InChIKey of 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium?
The InChIKey is WXMUIZLHJZJNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N4/c1-2-6-19-15(4-1)10-17-11-16(7-8-20(17)19)21-23-13-25(14-24-21)18-5-3-9-22-12-18/h1-9,11-14H,10H2/q+1.
What are the key properties of 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium?
4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium has a molecular weight of 323.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-yl)-1-pyridin-3-yl-1,3,5-triazin-1-ium is sourced from PubChem (CID 146727746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).