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

C56H28F15N5 — CID 138554301

IUPAC9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C56H28F15N5/c57-52(58,59)32-13-19-43-39(24-32)40-25-33(53(60,61)62)14-20-44(40)75(43)47-23-31(51-73-49(29-7-3-1-4-8-29)72-50(74-51)30-9-5-2-6-10-30)11-17-37(47)38-18-12-36(56(69,70)71)28-48(38)76-45-21-15-34(54(63,64)65)26-41(45)42-27-35(55(66,67)68)16-22-46(42)76/h1-28H
InChIKeyIBGZOEFXYQLDJW-UHFFFAOYSA-N
MW1055.85 g/mol
LogP17.83
Rot. Bonds6

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

9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 138554301) has the molecular formula C56H28F15N5 and a molecular weight of 1055.85 g/mol. Its IUPAC name is 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID138554301
Molecular FormulaC56H28F15N5
Molecular Weight1055.85 g/mol
Exact Mass1055.21
IUPAC Name9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C56H28F15N5/c57-52(58,59)32-13-19-43-39(24-32)40-25-33(53(60,61)62)14-20-44(40)75(43)47-23-31(51-73-49(29-7-3-1-4-8-29)72-50(74-51)30-9-5-2-6-10-30)11-17-37(47)38-18-12-36(56(69,70)71)28-48(38)76-45-21-15-34(54(63,64)65)26-41(45)42-27-35(55(66,67)68)16-22-46(42)76/h1-28H
InChIKeyIBGZOEFXYQLDJW-UHFFFAOYSA-N
XLogP17.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.85
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole with MolForge

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Related Compounds

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 138554386
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 142543888
9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 138554635
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 161243384
3-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142543965
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003391
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 162611729
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486384
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138712829
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138554822
3-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486806
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole
CID 138554819

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 138554301) is 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is IBGZOEFXYQLDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H28F15N5/c57-52(58,59)32-13-19-43-39(24-32)40-25-33(53(60,61)62)14-20-44(40)75(43)47-23-31(51-73-49(29-7-3-1-4-8-29)72-50(74-51)30-9-5-2-6-10-30)11-17-37(47)38-18-12-36(56(69,70)71)28-48(38)76-45-21-15-34(54(63,64)65)26-41(45)42-27-35(55(66,67)68)16-22-46(42)76/h1-28H.
What are the key properties of 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1055.85 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138554301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).