10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole

C42H26F3N5 — CID 90130685

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole
SMILESFC(F)(F)c1cccc(-n2ccc3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c32)c1
InChIInChI=1S/C42H26F3N5/c43-42(44,45)31-16-10-17-32(26-31)49-24-23-27-21-22-35-34-19-7-8-20-36(34)50(38(35)37(27)49)33-18-9-15-30(25-33)41-47-39(28-11-3-1-4-12-28)46-40(48-41)29-13-5-2-6-14-29/h1-26H
InChIKeyJBTUDIFOVSYBMH-UHFFFAOYSA-N
MW657.70 g/mol
LogP10.93
Rot. Bonds5

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 90130685) has the molecular formula C42H26F3N5 and a molecular weight of 657.70 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole
PubChem CID90130685
Molecular FormulaC42H26F3N5
Molecular Weight657.70 g/mol
Exact Mass657.21
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole
SMILESFC(F)(F)c1cccc(-n2ccc3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c32)c1
InChIInChI=1S/C42H26F3N5/c43-42(44,45)31-16-10-17-32(26-31)49-24-23-27-21-22-35-34-19-7-8-20-36(34)50(38(35)37(27)49)33-18-9-15-30(25-33)41-47-39(28-11-3-1-4-12-28)46-40(48-41)29-13-5-2-6-14-29/h1-26H
InChIKeyJBTUDIFOVSYBMH-UHFFFAOYSA-N
XLogP10.93
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.70
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole (CID 90130685) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole is FC(F)(F)c1cccc(-n2ccc3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c32)c1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole?
The InChIKey is JBTUDIFOVSYBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26F3N5/c43-42(44,45)31-16-10-17-32(26-31)49-24-23-27-21-22-35-34-19-7-8-20-36(34)50(38(35)37(27)49)33-18-9-15-30(25-33)41-47-39(28-11-3-1-4-12-28)46-40(48-41)29-13-5-2-6-14-29/h1-26H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole has a molecular weight of 657.70 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90130685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).