12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole

C44H27FN6 — CID 139478709

IUPAC12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole
SMILESFc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)nc5)c4c32)cc1
InChIInChI=1S/C44H27FN6/c45-30-19-21-31(22-20-30)50-38-17-9-7-15-33(38)35-24-25-36-34-16-8-10-18-39(34)51(41(36)40(35)50)32-23-26-37(46-27-32)44-48-42(28-11-3-1-4-12-28)47-43(49-44)29-13-5-2-6-14-29/h1-27H
InChIKeySJGUEAZFUTYNGZ-UHFFFAOYSA-N
MW658.74 g/mol
LogP10.60
Rot. Bonds5

About 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole

12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole (PubChem CID 139478709) has the molecular formula C44H27FN6 and a molecular weight of 658.74 g/mol. Its IUPAC name is 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole
PubChem CID139478709
Molecular FormulaC44H27FN6
Molecular Weight658.74 g/mol
Exact Mass658.23
IUPAC Name12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole
SMILESFc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)nc5)c4c32)cc1
InChIInChI=1S/C44H27FN6/c45-30-19-21-31(22-20-30)50-38-17-9-7-15-33(38)35-24-25-36-34-16-8-10-18-39(34)51(41(36)40(35)50)32-23-26-37(46-27-32)44-48-42(28-11-3-1-4-12-28)47-43(49-44)29-13-5-2-6-14-29/h1-27H
InChIKeySJGUEAZFUTYNGZ-UHFFFAOYSA-N
XLogP10.60
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.74
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole (CID 139478709) is 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole is Fc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)nc5)c4c32)cc1.
What is the InChIKey of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole?
The InChIKey is SJGUEAZFUTYNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27FN6/c45-30-19-21-31(22-20-30)50-38-17-9-7-15-33(38)35-24-25-36-34-16-8-10-18-39(34)51(41(36)40(35)50)32-23-26-37(46-27-32)44-48-42(28-11-3-1-4-12-28)47-43(49-44)29-13-5-2-6-14-29/h1-27H.
What are the key properties of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole?
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole has a molecular weight of 658.74 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-11-(4-fluorophenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 139478709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).