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

C61H32F12N4O — CID 138599606

IUPAC2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-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(-c5cccc6oc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C61H32F12N4O/c62-58(63,64)38-21-25-40(47(31-38)60(68,69)70)36-18-23-43-44-24-19-37(41-26-22-39(59(65,66)67)32-48(41)61(71,72)73)30-51(44)77(50(43)29-36)49-27-20-35(42-15-9-17-53-54(42)45-14-7-8-16-52(45)78-53)28-46(49)57-75-55(33-10-3-1-4-11-33)74-56(76-57)34-12-5-2-6-13-34/h1-32H
InChIKeyXHCXUDPOKSBHJS-UHFFFAOYSA-N
MW1064.93 g/mol
LogP18.95
Rot. Bonds7

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

2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 138599606) has the molecular formula C61H32F12N4O and a molecular weight of 1064.93 g/mol. Its IUPAC name is 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-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-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID138599606
Molecular FormulaC61H32F12N4O
Molecular Weight1064.93 g/mol
Exact Mass1064.24
IUPAC Name2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-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(-c5cccc6oc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C61H32F12N4O/c62-58(63,64)38-21-25-40(47(31-38)60(68,69)70)36-18-23-43-44-24-19-37(41-26-22-39(59(65,66)67)32-48(41)61(71,72)73)30-51(44)77(50(43)29-36)49-27-20-35(42-15-9-17-53-54(42)45-14-7-8-16-52(45)78-53)28-46(49)57-75-55(33-10-3-1-4-11-33)74-56(76-57)34-12-5-2-6-13-34/h1-32H
InChIKeyXHCXUDPOKSBHJS-UHFFFAOYSA-N
XLogP18.95
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.93
LogP ≤ 518.95
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-dibenzofuran-1-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-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 138599606) is 2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-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-dibenzofuran-1-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-dibenzofuran-1-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(-c5cccc6oc7ccccc7c56)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-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is XHCXUDPOKSBHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H32F12N4O/c62-58(63,64)38-21-25-40(47(31-38)60(68,69)70)36-18-23-43-44-24-19-37(41-26-22-39(59(65,66)67)32-48(41)61(71,72)73)30-51(44)77(50(43)29-36)49-27-20-35(42-15-9-17-53-54(42)45-14-7-8-16-52(45)78-53)28-46(49)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-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
2,7-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1064.93 g/mol, XLogP of 18.95, 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-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 138599606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).