7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole

C31H19FN4 — CID 70836977

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole
SMILESFc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C31H19FN4/c32-23-16-18-26-25(19-23)28-24-14-8-7-9-20(24)15-17-27(28)36(26)31-34-29(21-10-3-1-4-11-21)33-30(35-31)22-12-5-2-6-13-22/h1-19H
InChIKeyHHGIJERGKQOCHI-UHFFFAOYSA-N
MW466.52 g/mol
LogP7.59
Rot. Bonds3

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole (PubChem CID 70836977) has the molecular formula C31H19FN4 and a molecular weight of 466.52 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole
PubChem CID70836977
Molecular FormulaC31H19FN4
Molecular Weight466.52 g/mol
Exact Mass466.16
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole
SMILESFc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C31H19FN4/c32-23-16-18-26-25(19-23)28-24-14-8-7-9-20(24)15-17-27(28)36(26)31-34-29(21-10-3-1-4-11-21)33-30(35-31)22-12-5-2-6-13-22/h1-19H
InChIKeyHHGIJERGKQOCHI-UHFFFAOYSA-N
XLogP7.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole (CID 70836977) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole is Fc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole?
The InChIKey is HHGIJERGKQOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19FN4/c32-23-16-18-26-25(19-23)28-24-14-8-7-9-20(24)15-17-27(28)36(26)31-34-29(21-10-3-1-4-11-21)33-30(35-31)22-12-5-2-6-13-22/h1-19H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole has a molecular weight of 466.52 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-fluorobenzo[c]carbazole is sourced from PubChem (CID 70836977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).