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

C71H42F6N10 — CID 162611729

IUPAC9-[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
SMILESFC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C(F)(F)F)c1
InChIInChI=1S/C71H42F6N10/c72-70(73,74)52-34-36-53(57(42-52)71(75,76)77)49-31-35-54(69-85-65(47-27-15-5-16-28-47)80-66(86-69)48-29-17-6-18-30-48)60(41-49)87-58-37-32-50(67-81-61(43-19-7-1-8-20-43)78-62(82-67)44-21-9-2-10-22-44)39-55(58)56-40-51(33-38-59(56)87)68-83-63(45-23-11-3-12-24-45)79-64(84-68)46-25-13-4-14-26-46/h1-42H
InChIKeyNXGLVBUSYZGDEC-UHFFFAOYSA-N
MW1149.17 g/mol
LogP18.05
Rot. Bonds11

About 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

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 (PubChem CID 162611729) has the molecular formula C71H42F6N10 and a molecular weight of 1149.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID162611729
Molecular FormulaC71H42F6N10
Molecular Weight1149.17 g/mol
Exact Mass1148.35
IUPAC Name9-[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
SMILESFC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C(F)(F)F)c1
InChIInChI=1S/C71H42F6N10/c72-70(73,74)52-34-36-53(57(42-52)71(75,76)77)49-31-35-54(69-85-65(47-27-15-5-16-28-47)80-66(86-69)48-29-17-6-18-30-48)60(41-49)87-58-37-32-50(67-81-61(43-19-7-1-8-20-43)78-62(82-67)44-21-9-2-10-22-44)39-55(58)56-40-51(33-38-59(56)87)68-83-63(45-23-11-3-12-24-45)79-64(84-68)46-25-13-4-14-26-46/h1-42H
InChIKeyNXGLVBUSYZGDEC-UHFFFAOYSA-N
XLogP18.05
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.17
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549374
2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473598
3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512748
3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 142533588
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
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 142543888
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 162611758
2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486474
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 161015252
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
CID 157194443
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 138486422

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is NXGLVBUSYZGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42F6N10/c72-70(73,74)52-34-36-53(57(42-52)71(75,76)77)49-31-35-54(69-85-65(47-27-15-5-16-28-47)80-66(86-69)48-29-17-6-18-30-48)60(41-49)87-58-37-32-50(67-81-61(43-19-7-1-8-20-43)78-62(82-67)44-21-9-2-10-22-44)39-55(58)56-40-51(33-38-59(56)87)68-83-63(45-23-11-3-12-24-45)79-64(84-68)46-25-13-4-14-26-46/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 1149.17 g/mol, XLogP of 18.05, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162611729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).