9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

C72H43F6N5 — CID 159626561

IUPAC9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C72H43F6N5/c73-71(74,75)47-35-37-67-55(41-47)56-42-48(72(76,77)78)36-38-68(56)83(67)69-57(53-27-11-17-33-65(53)81-61-29-13-7-23-49(61)50-24-8-14-30-62(50)81)39-46(70-79-59(44-19-3-1-4-20-44)43-60(80-70)45-21-5-2-6-22-45)40-58(69)54-28-12-18-34-66(54)82-63-31-15-9-25-51(63)52-26-10-16-32-64(52)82/h1-43H
InChIKeyLPZSNBGEEBNTHE-UHFFFAOYSA-N
MW1092.16 g/mol
LogP20.14
Rot. Bonds8

About 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 159626561) has the molecular formula C72H43F6N5 and a molecular weight of 1092.16 g/mol. Its IUPAC name is 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID159626561
Molecular FormulaC72H43F6N5
Molecular Weight1092.16 g/mol
Exact Mass1091.34
IUPAC Name9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C72H43F6N5/c73-71(74,75)47-35-37-67-55(41-47)56-42-48(72(76,77)78)36-38-68(56)83(67)69-57(53-27-11-17-33-65(53)81-61-29-13-7-23-49(61)50-24-8-14-30-62(50)81)39-46(70-79-59(44-19-3-1-4-20-44)43-60(80-70)45-21-5-2-6-22-45)40-58(69)54-28-12-18-34-66(54)82-63-31-15-9-25-51(63)52-26-10-16-32-64(52)82/h1-43H
InChIKeyLPZSNBGEEBNTHE-UHFFFAOYSA-N
XLogP20.14
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.16
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 155462877
2-[3-(2-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 155446470
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155462551
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
CID 147187982
2-[3-(2-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 153260817
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155447381
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole
CID 137414604
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-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138555508

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 159626561) is 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is LPZSNBGEEBNTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43F6N5/c73-71(74,75)47-35-37-67-55(41-47)56-42-48(72(76,77)78)36-38-68(56)83(67)69-57(53-27-11-17-33-65(53)81-61-29-13-7-23-49(61)50-24-8-14-30-62(50)81)39-46(70-79-59(44-19-3-1-4-20-44)43-60(80-70)45-21-5-2-6-22-45)40-58(69)54-28-12-18-34-66(54)82-63-31-15-9-25-51(63)52-26-10-16-32-64(52)82/h1-43H.
What are the key properties of 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1092.16 g/mol, XLogP of 20.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 159626561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).