2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C61H32F12N4S — CID 155232637

IUPAC2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C61H32F12N4S/c62-58(63,64)38-21-25-40(48(31-38)60(68,69)70)36-18-23-43-44-24-19-37(41-26-22-39(59(65,66)67)32-49(41)61(71,72)73)30-52(44)77(51(43)29-36)50-27-20-35(42-15-9-16-46-45-14-7-8-17-53(45)78-54(42)46)28-47(50)57-75-55(33-10-3-1-4-11-33)74-56(76-57)34-12-5-2-6-13-34/h1-32H
InChIKeyRWXRKAKZVGNGRT-UHFFFAOYSA-N
MW1081.00 g/mol
LogP19.41
Rot. Bonds7

About 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 155232637) has the molecular formula C61H32F12N4S and a molecular weight of 1081.00 g/mol. Its IUPAC name is 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID155232637
Molecular FormulaC61H32F12N4S
Molecular Weight1081.00 g/mol
Exact Mass1080.22
IUPAC Name2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C61H32F12N4S/c62-58(63,64)38-21-25-40(48(31-38)60(68,69)70)36-18-23-43-44-24-19-37(41-26-22-39(59(65,66)67)32-49(41)61(71,72)73)30-52(44)77(51(43)29-36)50-27-20-35(42-15-9-16-46-45-14-7-8-17-53(45)78-54(42)46)28-47(50)57-75-55(33-10-3-1-4-11-33)74-56(76-57)34-12-5-2-6-13-34/h1-32H
InChIKeyRWXRKAKZVGNGRT-UHFFFAOYSA-N
XLogP19.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.00
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 155232637) is 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1.
What is the InChIKey of 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is RWXRKAKZVGNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H32F12N4S/c62-58(63,64)38-21-25-40(48(31-38)60(68,69)70)36-18-23-43-44-24-19-37(41-26-22-39(59(65,66)67)32-49(41)61(71,72)73)30-52(44)77(51(43)29-36)50-27-20-35(42-15-9-16-46-45-14-7-8-17-53(45)78-54(42)46)28-47(50)57-75-55(33-10-3-1-4-11-33)74-56(76-57)34-12-5-2-6-13-34/h1-32H.
What are the key properties of 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1081.00 g/mol, XLogP of 19.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155232637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).